{ "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" [ "Mo" "Mo" ] } "a" { "source-value" [ 4.72521 4.408603 4.212383 4.069819 3.957781 3.865474 3.786978 3.718694 3.658267 3.604074 3.554949 3.510025 3.468638 3.430273 3.394518 3.361041 3.329568 3.299873 3.271766 3.245086 3.219694 3.195473 3.172318 3.15014 3.127719 3.104614 3.080783 3.056176 3.030744 3.004428 2.977165 2.948884 2.919505 2.888941 2.857092 2.823844 2.78907 2.752622 2.714331 2.674001 2.631403 2.586265 2.538265 2.487017 2.432049 2.372777 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.725209999999999e-10 4.4086030000000006e-10 4.212383e-10 4.069819e-10 3.957781e-10 3.865474e-10 3.786978e-10 3.7186940000000005e-10 3.658267e-10 3.6040740000000005e-10 3.5549490000000004e-10 3.5100250000000005e-10 3.468638e-10 3.430273e-10 3.394518e-10 3.361041e-10 3.329568e-10 3.299873e-10 3.271766e-10 3.245086e-10 3.2196940000000004e-10 3.195473e-10 3.1723180000000006e-10 3.15014e-10 3.127719e-10 3.104614e-10 3.080783e-10 3.056176e-10 3.030744e-10 3.004428e-10 2.977165e-10 2.948884e-10 2.919505e-10 2.888941e-10 2.8570920000000004e-10 2.8238439999999997e-10 2.7890700000000005e-10 2.752622e-10 2.714331e-10 2.674001e-10 2.6314030000000003e-10 2.5862650000000004e-10 2.538265e-10 2.487017e-10 2.432049e-10 2.372777e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0246638 0.197487 0.673987 1.44246 2.30634 3.09393 3.74987 4.28523 4.72664 5.09685 5.41136 5.67986 5.90851 6.10172 6.26327 6.39674 6.50564 6.59331 6.66287 6.71718 6.75846 6.7874 6.80443 6.81 6.80399 6.78451 6.74915 6.69512 6.62015 6.52152 6.39575 6.23871 6.04536 5.80948 5.52331 5.17701 4.75817 4.25095 3.63522 2.88529 1.96809 0.840074 -0.558611 -2.31642 -4.57342 -7.55507 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.95157640656492e-21 3.1640905691875795e-20 1.079846223019758e-19 2.31107570747964e-19 3.6951640580595598e-19 4.957022353231619e-19 6.00795409453758e-19 6.86569537731582e-19 7.572912165329759e-19 8.166053977002899e-19 8.669954550162239e-19 9.100138976391239e-19 9.466476663755339e-19 9.77603321121048e-19 1.003486484643318e-18 1.024870736177316e-18 1.042318439721576e-18 1.056364722271854e-18 1.067509462937958e-18 1.0762108842372118e-18 1.082824669382364e-18 1.08746136856116e-18 1.090189875368862e-18 1.0910822877539998e-18 1.0901193795969658e-18 1.086998339513934e-18 1.08133304293611e-18 1.072676482582608e-18 1.06066496435751e-18 1.044862696216368e-18 1.0247121206905498e-18 9.99551538830214e-19 9.68573453611824e-19 9.307813111690319e-19 8.84931822433854e-19 8.29448445598434e-19 7.623428794599779e-19 6.810772762302299e-19 5.82426454344948e-19 4.62274422031386e-19 3.1532278116090597e-19 1.345946933630916e-19 -8.949934916953739e-20 -3.7113139985302795e-19 -7.327426661468279e-19 -1.2104556622234379e-18 ] } }