{ "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" [ 3.372 3.146064 3.006037 2.904301 2.824348 2.758476 2.70246 2.653731 2.610609 2.571936 2.53688 2.504821 2.475286 2.447908 2.422393 2.398503 2.376043 2.354852 2.334795 2.315755 2.297635 2.28035 2.263827 2.248 2.232 2.215512 2.198505 2.180946 2.162797 2.144017 2.124562 2.10438 2.083415 2.061603 2.038875 2.015149 1.990333 1.964324 1.936999 1.908218 1.877819 1.845608 1.811355 1.774783 1.735556 1.693259 1.647368 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.372e-10 3.146064e-10 3.006037e-10 2.904301e-10 2.824348e-10 2.758476e-10 2.70246e-10 2.653731e-10 2.610609e-10 2.5719360000000003e-10 2.53688e-10 2.5048210000000005e-10 2.4752860000000004e-10 2.447908e-10 2.422393e-10 2.398503e-10 2.376043e-10 2.354852e-10 2.3347950000000005e-10 2.3157549999999998e-10 2.2976350000000002e-10 2.28035e-10 2.263827e-10 2.2480000000000004e-10 2.2320000000000004e-10 2.215512e-10 2.198505e-10 2.180946e-10 2.1627969999999998e-10 2.144017e-10 2.124562e-10 2.10438e-10 2.0834150000000001e-10 2.0616029999999998e-10 2.038875e-10 2.0151490000000002e-10 1.990333e-10 1.964324e-10 1.936999e-10 1.908218e-10 1.877819e-10 1.845608e-10 1.8113550000000002e-10 1.7747830000000002e-10 1.735556e-10 1.693259e-10 1.647368e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.0871 1.61681 1.99186 2.31439 2.58153 2.76729 2.87936 2.93821 2.9723 2.99904 3.02665 3.05803 3.09326 3.13178 3.17292 3.21549 3.25712 3.29672 3.33364 3.36736 3.39731 3.4221 3.43875 3.44475 3.43749 3.41234 3.36365 3.28508 3.17127 3.01682 2.81632 2.56581 2.26033 1.89221 1.44863 0.905969 0.16424 -0.871004 -2.14325 -3.68416 -5.52388 -7.70425 -10.3335 -13.571 -17.5999 -22.651 -29.0817 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7417262188213997e-19 2.5904152036175398e-19 3.1913115501992396e-19 3.7080615799632596e-19 4.1360670459700196e-19 4.43368737750186e-19 4.61324331287424e-19 4.70753140778514e-19 4.7621496092382e-19 4.804991812431359e-19 4.8492279092961e-19 4.899504212071019e-19 4.955948894886839e-19 5.01766473882852e-19 5.08357828555128e-19 5.151782944860659e-19 5.21848155813408e-19 5.28192775284048e-19 5.341080114167759e-19 5.39510551026624e-19 5.4430907004545395e-19 5.4828086592113995e-19 5.5094849001675e-19 5.5190979599715e-19 5.507466157608659e-19 5.46717141526356e-19 5.3891614349541e-19 5.263278416820719e-19 5.08093469410518e-19 4.83347851298388e-19 4.51224209786688e-19 4.1108808292835397e-19 3.62144791112922e-19 3.0316546486211396e-19 2.32096113731142e-19 1.4515223629283458e-19 2.6314149036815998e-20 -1.3955022569205358e-19 -3.4338650708205e-19 -5.902675067917439e-19 -8.850231465019919e-19 -1.23435693324945e-18 -1.6556092247439e-18 -2.1743139100013998e-18 -2.81981485407366e-18 -3.6290902936734e-18 -4.65940202169978e-18 ] } }