{ "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" [ [ 1.4318488 -3.3363852 -8.1104829 ] [ -6.086875 4.271149 -2.0937512 ] [ -3.0703649 -7.9180186 9.9825766 ] [ -4.7100459 10.2150928 -7.6083525 ] [ 2.7508326 -0.5688743 0.6758454 ] [ 7.7992537 0.713565 -2.8041248 ] [ 1.8853507 -3.3765286 9.9582894 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.294074671880535e-09 -5.345478365423132e-09 -1.299442608577818e-08 ] [ -9.752248818732e-09 6.8431350717533e-09 -3.354559222411945e-09 ] [ -4.91926686010493e-09 -1.268606428397955e-08 1.599385084386515e-08 ] [ -7.546325423874896e-09 1.636638286346241e-08 -1.218992449830523e-08 ] [ 4.407319679454478e-09 -9.114371036339656e-10 1.082823699155224e-09 ] [ 1.24957819378279e-08 1.143257160421152e-09 -4.492703196365476e-09 ] [ 3.020664813548915e-09 -5.409795182382554e-09 1.595493845984046e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.500391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.682348096945873e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6231225 1.3355231 1.0473687 ] [ 0.8898229 3.0482426 1.7953055 ] [ 1.6318407 1.3161135 3.5117813 ] [ 2.6836551 4.5186041 2.5284286 ] [ 4.2588386 1.4401725 3.1377848 ] [ 4.3302157 3.2107149 1.3055083 ] [ 3.0320044 3.1852982 4.5329768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6231225e-10 1.3355231e-10 1.0473687e-10 ] [ 8.898229e-11 3.0482426e-10 1.7953055e-10 ] [ 1.6318407e-10 1.3161135e-10 3.5117813e-10 ] [ 2.6836551e-10 4.5186041e-10 2.5284286e-10 ] [ 4.2588386e-10 1.4401725e-10 3.1377848e-10 ] [ 4.3302157e-10 3.2107149e-10 1.3055083e-10 ] [ 3.0320044e-10 3.1852982e-10 4.5329768e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 -1.28e-05 -1.5e-05 ] [ 5.7e-06 4.8e-06 3.3e-06 ] [ 1.01e-05 -4.4e-06 8.8e-06 ] [ 4.1e-06 1.24e-05 -1e-06 ] [ -1.03e-05 -5.3e-06 1.2e-06 ] [ -1.03e-05 3.5e-06 6.5e-06 ] [ -4.1e-06 1.9e-06 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.53023011776e-15 -2.050786074624e-14 -2.4032649312e-14 ] [ 9.13240673856e-15 7.69044777984e-15 5.28718284864e-15 ] [ 1.618198387008e-14 -7.04957713152e-15 1.409915426304e-14 ] [ 6.568924145279999e-15 1.986699009792e-14 -1.6021766208e-15 ] [ -1.650241919424e-14 -8.491536090240001e-15 1.92261194496e-15 ] [ -1.650241919424e-14 5.6076181728e-15 1.04141480352e-14 ] [ -6.568924145279999e-15 3.04413557952e-15 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.473824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.799615228877394e-18 } }