{ "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" [ "Th" "Th" ] } "a" { "source-value" [ 6.80223 6.346455 6.063985 5.858754 5.697468 5.564587 5.451588 5.353288 5.2663 5.188286 5.117568 5.052896 4.993318 4.938089 4.886618 4.838425 4.793118 4.75037 4.709908 4.6715 4.634948 4.600079 4.566746 4.53482 4.502544 4.469283 4.434976 4.399554 4.362942 4.325059 4.285812 4.245099 4.202807 4.158808 4.112959 4.065097 4.015037 3.962568 3.907447 3.849389 3.788066 3.723087 3.653989 3.580214 3.501084 3.415758 3.323184 3.222016 3.110491 2.986247 2.846004 2.685022 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.80223e-10 6.346455e-10 6.063985e-10 5.858754e-10 5.697468e-10 5.564587000000001e-10 5.451588e-10 5.353288e-10 5.266300000000001e-10 5.188286e-10 5.117568e-10 5.052896e-10 4.993318e-10 4.938089e-10 4.886618000000001e-10 4.838425e-10 4.793118e-10 4.75037e-10 4.709908000000001e-10 4.6715e-10 4.634948e-10 4.600079e-10 4.5667460000000006e-10 4.53482e-10 4.5025440000000003e-10 4.469283e-10 4.434976e-10 4.3995540000000003e-10 4.3629420000000005e-10 4.325059000000001e-10 4.285812e-10 4.245099e-10 4.202807e-10 4.1588079999999996e-10 4.112959e-10 4.065097e-10 4.0150370000000005e-10 3.962568e-10 3.907447e-10 3.8493890000000003e-10 3.788066e-10 3.7230870000000003e-10 3.653989e-10 3.580214e-10 3.501084e-10 3.415758e-10 3.323184e-10 3.2220160000000003e-10 3.110491e-10 2.986247e-10 2.8460040000000005e-10 2.6850220000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.98176 4.46272 5.76735 6.9621 8.0728 9.11542 10.0962 11.0182 11.8845 12.6967 13.4568 14.1642 14.8189 15.4223 15.9744 16.4741 16.9189 17.3078 17.6399 17.9141 18.1294 18.2855 18.3801 18.4119 18.376 18.2562 18.0309 17.6723 17.1438 16.3992 15.3787 14.0048 12.1758 9.7558 6.56281 2.35387 -3.21251 -10.612 -20.5154 -33.8916 -52.1692 -77.5052 -113.241 -164.698 -240.654 -356.217 -538.61 -839.827 -1366.3 -2355.75 -4401.26 -9216.31 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.777306200195839e-19 7.150065708084479e-19 9.2403134100999e-19 1.11545139435714e-18 1.2934051530955201e-18 1.4604512933096279e-18 1.6175895732190799e-18 1.76531025887388e-18 1.9041068206772998e-18 2.0342356068907797e-18 2.15601705284112e-18 2.26935502793028e-18 2.3742495321582597e-18 2.47092487025382e-18 2.5593810422169595e-18 2.6394418086179397e-18 2.71070662529826e-18 2.77301527459452e-18 2.82622356060966e-18 2.87015524391394e-18 2.90465010684396e-18 2.9296600841006997e-18 2.9448166750583398e-18 2.9499115967544596e-18 2.9441597826384e-18 2.92496570656308e-18 2.8888686669990596e-18 2.8314146129038197e-18 2.7467395777969195e-18 2.62744150562928e-18 2.46393938012958e-18 2.2438163323843197e-18 1.95077822602572e-18 1.56305148059772e-18 1.051478083538154e-18 3.77131551347358e-19 -5.14700845849134e-19 -1.7002298440007998e-18 -3.2869294517163597e-18 -5.430032960887439e-18 -8.358427325447279e-18 -1.241770204534968e-17 -1.81432084210794e-17 -2.63875287266532e-17 -3.85570215678636e-17 -5.707225540335779e-17 -8.629483568387399e-17 -1.345551196002318e-16 -2.1890539350341999e-16 -3.7743276055455e-16 -7.05159593215884e-16 -1.4766156533700537e-15 ] } }