{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.0125761 -2.7389684 -5.451849 ] [ -5.054644 2.2456582 -1.5567254 ] [ 7.8918584 -4.4706283 5.0718985 ] [ -0.6207653 4.324747 -1.8005781 ] [ -7.5218651 1.6737244 0.8136267 ] [ 0.4436019 0.3640886 -0.8901731 ] [ 0.849238 -1.3986215 3.8138004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.428855616600844e-09 -4.388311135589983e-09 -8.73482500793186e-09 ] [ -8.098432443266995e-09 3.59794106634781e-09 -2.494149040885528e-09 ] [ 1.26441510231441e-08 -7.162736142546849e-09 8.126077199770587e-09 ] [ -9.945756506638982e-10 6.929008534274938e-09 -2.884844135744485e-09 ] [ -1.205135640803145e-08 2.681602103342508e-09 1.303573676798655e-09 ] [ 7.107285931224595e-10 5.833342428198029e-10 -1.426214529285061e-09 ] [ 1.36062926909495e-09 -2.240838668648227e-09 6.110381837277688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2165658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.476656624882485e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0045577 2.7351776 -0.0287119 ] [ 0.9396447 1.4756856 1.428804 ] [ 1.7004677 0.8528081 3.4017015 ] [ 4.1647043 4.199069 2.8217279 ] [ 3.493578 0.7861201 4.6775872 ] [ 3.773294 3.8425852 0.6825673 ] [ 3.3732537 4.1632234 4.8754781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0045577e-10 2.7351776e-10 -2.87119e-12 ] [ 9.396447e-11 1.4756856e-10 1.428804e-10 ] [ 1.7004677e-10 8.528081e-11 3.4017015e-10 ] [ 4.164704300000001e-10 4.199069e-10 2.8217279e-10 ] [ 3.493578e-10 7.861201e-11 4.677587199999999e-10 ] [ 3.773294e-10 3.8425852e-10 6.825673e-11 ] [ 3.3732537e-10 4.1632234e-10 4.8754781e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.2613103 0.2235722 -0.2148683 ] [ -0.0255628 -0.3267802 0.4163735 ] [ -0.0481186 -0.0093871 -0.1741497 ] [ 0.0827008 0.1069594 -0.1002461 ] [ -0.1993267 -0.047725 -0.0090781 ] [ -0.1916335 0.0213003 0.147299 ] [ 0.1206305 0.0320603 -0.0653302 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.186652534342342e-10 3.582021519008218e-10 -3.442569668110407e-10 ] [ -4.095612052218624e-11 -5.235595965803482e-10 6.671038872206688e-10 ] [ -7.709449594562687e-11 -1.503979215711168e-11 -2.790185778593337e-10 ] [ 1.325012882814567e-10 1.713678500547955e-10 -1.606119577463789e-10 ] [ -3.193565786412154e-10 -7.646387922767999e-11 -1.454471958128448e-11 ] [ -3.070307134620769e-10 3.412684267602624e-11 2.359990140672193e-10 ] [ 1.932713668554144e-10 5.136626311583424e-11 -1.046705190721882e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.88651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.545299490810541e-18 } }