{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.29051 4.00303 3.824861 3.695412 3.593681 3.509866 3.438592 3.376589 3.321721 3.272514 3.227909 3.187117 3.149538 3.114702 3.082237 3.051839 3.023261 2.996298 2.970777 2.946551 2.923496 2.901502 2.880478 2.86034 2.846631 2.832202 2.816975 2.800855 2.783732 2.765472 2.745913 2.724856 2.702053 2.677188 2.64985 2.619492 2.585364 2.546395 2.50098 2.446557 2.378644 2.28827 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2905100000000004e-10 4.00303e-10 3.824861e-10 3.695412e-10 3.5936810000000004e-10 3.5098660000000005e-10 3.438592e-10 3.376589e-10 3.3217210000000005e-10 3.272514e-10 3.227909e-10 3.1871170000000005e-10 3.149538e-10 3.1147019999999997e-10 3.0822370000000004e-10 3.0518390000000003e-10 3.0232610000000003e-10 2.996298e-10 2.970777e-10 2.946551e-10 2.923496e-10 2.901502e-10 2.880478e-10 2.86034e-10 2.846631e-10 2.8322020000000004e-10 2.816975e-10 2.8008549999999997e-10 2.7837320000000003e-10 2.765472e-10 2.745913e-10 2.724856e-10 2.702053e-10 2.677188e-10 2.64985e-10 2.619492e-10 2.585364e-10 2.546395e-10 2.5009800000000003e-10 2.446557e-10 2.378644e-10 2.28827e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -3.88091 -4.98783 -3.14862 0.819283 2.7246 3.15232 3.19816 3.25276 3.33794 3.43219 3.53621 3.64983 3.76537 3.87399 3.97019 4.05207 4.11991 4.17478 4.21801 4.25077 4.27404 4.28935 4.29806 4.30094 4.2995 4.29468 4.28558 4.27092 4.24893 4.21715 4.17232 4.11034 4.0266 3.9161 3.77372 3.59503 3.37251 3.09449 2.77549 2.71312 4.6669 14.7467 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -6.2179033206569395e-19 -7.991384680364219e-19 -5.04464539334508e-19 1.312636079233422e-19 4.3652904569964e-19 5.05057344689088e-19 5.12401722379344e-19 5.211496068009839e-19 5.34796947369396e-19 5.49897462144846e-19 5.66563303491714e-19 5.84767234407222e-19 6.03278783236458e-19 6.206816258349659e-19 6.36094565054046e-19 6.492131873332379e-19 6.60082353618294e-19 6.6887349680905195e-19 6.757997063978339e-19 6.81048437050818e-19 6.84776702078136e-19 6.872296345047899e-19 6.88625130353004e-19 6.89086557223596e-19 6.888558437883e-19 6.880835946507119e-19 6.86625613913772e-19 6.84276822968328e-19 6.807536365501619e-19 6.7566191920731e-19 6.684793613570879e-19 6.58549070579556e-19 6.4513244344643995e-19 6.274283916407399e-19 6.0461660072584795e-19 5.75987306452902e-19 5.40335671993134e-19 4.957919572146659e-19 4.44682522590066e-19 4.34689746923808e-19 7.4771981332146e-19 2.36268181686078e-18 ] } }