{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" ] } "a" { "source-value" [ 13.2758 12.386268 11.834971 11.434425 11.119644 10.8603 10.63976 10.447908 10.278134 10.125876 9.987856 9.861636 9.745358 9.637568 9.537111 9.443054 9.354628 9.271198 9.192229 9.117268 9.045928 8.977876 8.912821 8.85051 8.808091 8.763446 8.71633 8.666453 8.61347 8.556969 8.496449 8.431295 8.360738 8.2838 8.19921 8.105278 7.999679 7.879101 7.738579 7.570182 7.360045 7.08041 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.32758e-09 1.2386268e-09 1.1834971e-09 1.1434425e-09 1.1119644e-09 1.08603e-09 1.063976e-09 1.0447908000000001e-09 1.0278134e-09 1.0125876e-09 9.987856e-10 9.861636000000001e-10 9.745358e-10 9.637568e-10 9.537111e-10 9.443054e-10 9.354628e-10 9.271198e-10 9.192229e-10 9.117267999999999e-10 9.045928e-10 8.977876e-10 8.912821e-10 8.850510000000001e-10 8.808091e-10 8.763446e-10 8.716329999999999e-10 8.666453000000001e-10 8.61347e-10 8.556969000000001e-10 8.496449000000001e-10 8.431295000000001e-10 8.360738e-10 8.2838e-10 8.199210000000001e-10 8.105278e-10 7.999679e-10 7.879101000000001e-10 7.738579e-10 7.570182e-10 7.360045e-10 7.08041e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 1.6217 2.43084 3.14197 3.79375 4.40298 4.97368 5.51205 6.01813 6.4935 6.93912 7.35598 7.7449 8.10481 8.43557 8.73817 9.0121 9.2558 9.46878 9.65048 9.80031 9.91765 10.0018 10.0537 10.0712 10.0624 10.0327 9.97623 9.8851 9.74926 9.55411 9.27958 8.89761 8.3676 7.62925 6.58998 5.10295 2.92043 -0.395019 -5.68661 -14.7544 -32.0365 -71.3938 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.59824982595136e-19 3.894635016905472e-19 5.033990877254976e-19 6.078257555160001e-19 7.054351617849985e-19 7.968713815340545e-19 8.83127764268064e-19 9.642107186935105e-19 1.0403733887164802e-18 1.1117695832925697e-18 1.1785579179072384e-18 1.2408697710433922e-18 1.298533709802605e-18 1.3515273037121858e-18 1.4000091682575938e-18 1.443897592431168e-18 1.4829426366800643e-18 1.5170657943498625e-18 1.5461773435497986e-18 1.5701827558592448e-18 1.5889826963277122e-18 1.602465012591744e-18 1.610780309253696e-18 1.613584118340096e-18 1.6121742029137922e-18 1.607415738350016e-18 1.5983682469723584e-18 1.583767611427008e-18 1.5620036442100607e-18 1.5307371674551489e-18 1.4867526126843263e-18 1.4255542722996288e-18 1.340637309220608e-18 1.22234059842384e-18 1.0558311887539584e-18 8.17582718711136e-19 4.679044668682944e-19 -6.328902065717953e-20 -9.110953593607488e-19 -2.363915473393152e-18 -5.13281313122592e-18 -1.1438547723007105e-17 ] } }