{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "O" "O" ] } "a" { "source-value" [ 7.72134 7.203982 6.883344 6.650383 6.467304 6.316468 6.1882 6.076618 5.977876 5.889322 5.809048 5.735638 5.66801 5.605318 5.546892 5.492188 5.440759 5.392235 5.346306 5.302708 5.261217 5.221637 5.1838 5.14756 5.110923 5.073168 5.034225 4.994017 4.952458 4.909456 4.864906 4.818692 4.770686 4.720742 4.668698 4.614369 4.557545 4.497986 4.435417 4.369514 4.299905 4.226146 4.147712 4.063969 3.974146 3.877292 3.772209 3.657371 3.530778 3.389746 3.230553 3.04782 2.833357 2.57378 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.72134e-10 7.203982000000001e-10 6.883344e-10 6.650383e-10 6.467304e-10 6.316468000000001e-10 6.1882e-10 6.076618e-10 5.977876e-10 5.889322e-10 5.809048e-10 5.735638e-10 5.66801e-10 5.605318e-10 5.546892e-10 5.492188e-10 5.440759e-10 5.392235e-10 5.346306e-10 5.302708e-10 5.261217000000001e-10 5.221637e-10 5.1838e-10 5.147560000000001e-10 5.110922999999999e-10 5.073168e-10 5.034225000000001e-10 4.994017000000001e-10 4.952458e-10 4.909456e-10 4.864906e-10 4.818692000000001e-10 4.770686000000001e-10 4.720742000000001e-10 4.668698e-10 4.614369e-10 4.5575450000000004e-10 4.497986e-10 4.435417e-10 4.369514e-10 4.299905e-10 4.226146e-10 4.1477120000000003e-10 4.063969e-10 3.9741460000000005e-10 3.877292e-10 3.7722090000000005e-10 3.6573710000000003e-10 3.530778e-10 3.3897460000000004e-10 3.230553e-10 3.04782e-10 2.833357e-10 2.5737800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.000849122 0.00192386 0.00305797 0.00419085 0.00529589 0.00635932 0.00737335 0.00833335 0.00923651 0.0100811 0.0108663 0.0115915 0.0122566 0.0128616 0.0134069 0.0138927 0.0143194 0.0146876 0.0149977 0.0152502 0.0154456 0.0155846 0.0156675 0.0156951 0.0156647 0.0155644 0.0153786 0.0150881 0.0146693 0.0140931 0.0133233 0.0123147 0.0110107 0.0093395 0.00720969 0.00450392 0.00107007 -0.00329084 -0.00884191 -0.0159358 -0.0250504 -0.0368444 -0.05224 -0.0725544 -0.0997094 -0.13658 -0.1876 -0.259833 -0.365025 -0.523687 -0.773952 -1.19257 -1.81531 -2.46979 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.360443427815348e-22 3.0823635390872397e-22 4.89940808147298e-22 6.7144819465989e-22 8.484951214234259e-22 1.0188753912128878e-21 1.1813409084303899e-21 1.3351498652943899e-21 1.4798520501707338e-21 1.61517028650174e-21 1.74097319580342e-21 1.8571630453011e-21 1.9637238132284398e-21 2.06065549958544e-21 2.1480221914374597e-21 2.2258559323171796e-21 2.29422080928996e-21 2.3532129529538398e-21 2.4028964503741797e-21 2.44335141038268e-21 2.47465794181104e-21 2.49692819702364e-21 2.5102102413195e-21 2.51463224882934e-21 2.50976163186198e-21 2.49369180022296e-21 2.4639233583632396e-21 2.41738012714554e-21 2.35028096971362e-21 2.25796355206254e-21 2.13462799477722e-21 1.97303245947198e-21 1.76410862639838e-21 1.4963528673243e-21 1.155119685638346e-21 7.216075385405279e-22 1.7144411507443799e-22 -5.2725069542325595e-22 -1.4166301601930939e-21 -2.55319664040972e-21 -4.01351655523536e-21 -5.90312367737496e-21 -8.369770736016e-21 -1.162449643738896e-20 -1.597520708701596e-20 -2.1882528467172e-20 -3.005683365384e-20 -4.1629836134212193e-20 -5.8483452582585e-20 -8.39039074929558e-20 -1.2400078102375678e-19 -1.9107077884093796e-19 -2.90844726546654e-19 -3.95703982888686e-19 ] } }