{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.1465 7.600654 7.262361 7.016573 6.823413 6.664272 6.528941 6.411215 6.307036 6.213606 6.128912 6.051459 5.980107 5.913964 5.852321 5.794604 5.740343 5.689148 5.64069 5.594691 5.550915 5.509156 5.469236 5.431 5.40497 5.377574 5.348662 5.318055 5.285543 5.250872 5.213735 5.173754 5.130458 5.083245 5.031338 4.973697 4.908898 4.834907 4.748677 4.645342 4.516395 4.3448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1465e-10 7.600654e-10 7.262361000000001e-10 7.016573e-10 6.823413e-10 6.664272000000001e-10 6.528941e-10 6.411215e-10 6.307036e-10 6.213606000000001e-10 6.128912e-10 6.051459000000001e-10 5.980107e-10 5.913964e-10 5.852321e-10 5.794604e-10 5.740343000000001e-10 5.689148e-10 5.640690000000001e-10 5.594691000000001e-10 5.550915e-10 5.509156e-10 5.469236e-10 5.431e-10 5.40497e-10 5.377574e-10 5.348662000000001e-10 5.318055000000001e-10 5.285543e-10 5.250872e-10 5.213735e-10 5.173754e-10 5.130458e-10 5.083245e-10 5.031338e-10 4.973697e-10 4.908898e-10 4.834907000000001e-10 4.748677e-10 4.6453420000000004e-10 4.5163950000000005e-10 4.3448000000000003e-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" [ 1.61456 2.13323 2.5179 2.82687 3.08478 3.30489 3.49533 3.66155 3.80741 3.93577 4.04885 4.14838 4.23578 4.31219 4.37858 4.43577 4.48446 4.52525 4.55869 4.58522 4.60527 4.6192 4.62735 4.63 4.62871 4.62447 4.61656 4.60411 4.58597 4.56063 4.52611 4.47971 4.41773 4.33494 4.22376 4.07285 3.86454 3.56989 3.13835 2.47393 1.37111 -0.697099 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.58681030619104e-19 3.41781126094782e-19 4.0341205467485996e-19 4.52914506135558e-19 4.942362437030519e-19 5.29501753594026e-19 5.60013605411922e-19 5.866449854222699e-19 6.100143338057939e-19 6.30579873079818e-19 6.486972864570899e-19 6.64643750495292e-19 6.78646774276452e-19 6.90889005936846e-19 7.01525856609972e-19 7.106887047798179e-19 7.18489702810764e-19 7.250249813008499e-19 7.30382659964946e-19 7.346332345749479e-19 7.378455987261179e-19 7.400774307772799e-19 7.4138320473399e-19 7.418077815419999e-19 7.41601100756214e-19 7.409217778633979e-19 7.3965445614590395e-19 7.37659746236574e-19 7.347533978224979e-19 7.306934822319419e-19 7.25162768491374e-19 7.17728668909614e-19 7.077983781320819e-19 6.945339577791959e-19 6.76720957962384e-19 6.5254251037869e-19 6.19167568915836e-19 5.719594343950259e-19 5.028191039313899e-19 3.96367284015162e-19 2.19676040464374e-19 -1.116875729384766e-19 ] } }