{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.49644 3.262166 3.116972 3.011481 2.928577 2.860274 2.802191 2.751664 2.706951 2.666851 2.6305 2.597258 2.566634 2.538246 2.511789 2.487017 2.463729 2.441756 2.420958 2.401216 2.382427 2.364504 2.347371 2.33096 2.31437 2.297273 2.279639 2.261431 2.242613 2.22314 2.202966 2.182039 2.160301 2.137685 2.114118 2.089516 2.063785 2.036815 2.008481 1.978639 1.947118 1.913718 1.878201 1.84028 1.799605 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.4964400000000003e-10 3.2621660000000004e-10 3.116972e-10 3.011481e-10 2.9285770000000005e-10 2.860274e-10 2.802191e-10 2.751664e-10 2.706951e-10 2.666851e-10 2.6305000000000004e-10 2.597258e-10 2.566634e-10 2.5382460000000003e-10 2.511789e-10 2.487017e-10 2.463729e-10 2.4417559999999997e-10 2.4209580000000003e-10 2.401216e-10 2.382427e-10 2.364504e-10 2.347371e-10 2.33096e-10 2.3143699999999998e-10 2.297273e-10 2.279639e-10 2.261431e-10 2.242613e-10 2.22314e-10 2.202966e-10 2.182039e-10 2.160301e-10 2.137685e-10 2.114118e-10 2.0895160000000003e-10 2.0637850000000003e-10 2.036815e-10 2.0084810000000002e-10 1.978639e-10 1.947118e-10 1.913718e-10 1.878201e-10 1.84028e-10 1.799605e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ -4.84432 -3.12 -1.14193 0.905193 2.01955 2.58592 2.90914 3.10775 3.21798 3.25774 3.25913 3.25629 3.26516 3.28535 3.31359 3.34572 3.37858 3.41024 3.44028 3.46901 3.49558 3.51766 3.53254 3.53795 3.53128 3.50778 3.46077 3.38057 3.2532 3.07184 2.84773 2.61242 2.42002 2.29999 2.23519 2.23781 2.33552 2.5473 2.88448 3.36487 4.05889 5.16704 7.00326 10.1793 16.5253 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.761456311618879e-19 -4.99879109808e-19 -1.8295735636636198e-19 1.450279073860362e-19 3.2356758211947e-19 4.14310060139328e-19 4.66095613303476e-19 4.979164434313499e-19 5.155772364679319e-19 5.219474907647159e-19 5.221701933168419e-19 5.21715175152786e-19 5.23136305827144e-19 5.2637110045119e-19 5.30895647265606e-19 5.36043440790648e-19 5.41308193209972e-19 5.463806844332159e-19 5.511936230417519e-19 5.55796676511234e-19 5.60053659827772e-19 5.6359126583564395e-19 5.65975304667036e-19 5.6684208222603e-19 5.65773430411152e-19 5.62008315321252e-19 5.54476482964818e-19 5.416270263601379e-19 5.2122010257288e-19 4.92163027138656e-19 4.56256646594082e-19 4.18555828219428e-19 3.87729949781268e-19 3.68499023643366e-19 3.5811691905504595e-19 3.58536689333154e-19 3.7419155722396796e-19 4.0812245397881993e-19 4.62144645724032e-19 5.39111609044758e-19 6.503058717976259e-19 8.27851075494336e-19 1.1220459533826838e-18 1.6309036610476199e-18 2.64764495298402e-18 ] } }