{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 9.07287 8.464954 8.088192 7.814455 7.59933 7.422092 7.271372 7.140259 7.024233 6.920179 6.825854 6.739594 6.660128 6.586464 6.517811 6.453531 6.3931 6.336083 6.282114 6.230885 6.182131 6.135623 6.091164 6.04858 6.01959 5.989079 5.956879 5.922792 5.886582 5.847968 5.806608 5.762081 5.713861 5.661279 5.603469 5.539274 5.467106 5.384701 5.288665 5.173579 5.029968 4.83886 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.072870000000001e-10 8.464954000000001e-10 8.088192e-10 7.814455e-10 7.59933e-10 7.422092e-10 7.271372000000001e-10 7.140259000000001e-10 7.024233e-10 6.920179e-10 6.825854e-10 6.739594e-10 6.660128e-10 6.586464000000001e-10 6.517811e-10 6.453531e-10 6.393099999999999e-10 6.336083e-10 6.282114e-10 6.230885e-10 6.182131e-10 6.135623e-10 6.091164000000001e-10 6.04858e-10 6.01959e-10 5.989079e-10 5.956879e-10 5.922792e-10 5.886582e-10 5.847968e-10 5.806608e-10 5.762081e-10 5.713861e-10 5.661279e-10 5.603469e-10 5.539274e-10 5.467106000000001e-10 5.384701e-10 5.288665e-10 5.173579e-10 5.029968e-10 4.83886e-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" [ 1.57106 2.35493 3.04386 3.67527 4.26547 4.81834 5.3399 5.83016 6.29069 6.72238 7.12622 7.50299 7.85166 8.17208 8.46523 8.7306 8.96669 9.17302 9.34905 9.4942 9.60787 9.68942 9.73965 9.75661 9.74807 9.71934 9.66465 9.57637 9.44478 9.25573 8.98979 8.61976 8.10632 7.39102 6.38424 4.94367 2.82934 -0.382518 -5.50884 -14.2935 -31.0357 -69.1639 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5171156018740477e-19 3.7730137896205444e-19 4.876801328988288e-19 5.888431669127616e-19 6.834036310723776e-19 7.719831699065473e-19 8.555462937409921e-19 9.34094604752333e-19 1.0078796446700352e-18 1.0770440072133505e-18 1.1417463078677376e-18 1.2021115164096193e-18 1.257974608647053e-18 1.3093115519307263e-18 1.3562793595694785e-18 1.3987963205556482e-18 1.4366221083961153e-18 1.4696798186130816e-18 1.497882933669024e-18 1.521138527319936e-18 1.5393504689685697e-18 1.5524162193111937e-18 1.560463952477472e-18 1.5631812440263489e-18 1.5618129851921857e-18 1.5572099317606274e-18 1.548447627821472e-18 1.5343036126130499e-18 1.5132205704599425e-18 1.4829314214437185e-18 1.4403231363901631e-18 1.3810377948907007e-18 1.2987756384723458e-18 1.1841719447865217e-18 1.0228680069576193e-18 7.920632494950336e-19 4.533102400294273e-19 -6.128613966351744e-20 -8.826134655727874e-19 -2.29007115294048e-18 -4.9724672950162564e-18 -1.1081278358334912e-17 ] } }