{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0221122 0.00357 0.1110342 ] [ 0.2725629 2.182164 0.260904 ] [ 0.3472204 2.881652 2.59775 ] [ 1.734388 0.2655593 2.566686 ] [ 2.338795 2.363947 0.0295877 ] [ 1.600298 1.908592 1.497057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.21122e-12 3.57e-13 1.110342e-11 ] [ 2.725629e-11 2.182164e-10 2.60904e-11 ] [ 3.472204e-11 2.881652e-10 2.59775e-10 ] [ 1.734388e-10 2.655593e-11 2.566686e-10 ] [ 2.338795e-10 2.363947e-10 2.95877e-12 ] [ 1.600298e-10 1.908592e-10 1.497057e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1084559 -3.2683434 0.1030744 ] [ -7.041001 0.2686224 -2.7293182 ] [ -9.2162953 8.8533874 8.3160082 ] [ 0.1016431 -6.7620367 0.7986825 ] [ 14.6450132 6.6599996 -19.545416 ] [ 2.6190957 -5.7516293 13.0569691 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.775942128167823e-09 -5.236463384225983e-09 1.651433938829875e-10 ] [ -1.128092718922942e-08 4.303805291031859e-10 -4.372849810763939e-09 ] [ -1.476613286004892e-08 1.41846903071653e-08 1.332371391642109e-08 ] [ 1.628501984856365e-10 -1.083397710973159e-08 1.279630428942096e-09 ] [ 2.346389776034739e-08 1.067049565365735e-08 -3.131520855901025e-08 ] [ 4.19625389817781e-09 -9.215125995968271e-09 2.091957063052802e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.1686332 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.07671003293069e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1111661 -0.2086654 0.4556561 ] [ 0.1864253 2.2412845 0.2295343 ] [ -0.1650816 3.2315286 2.6471097 ] [ 1.6724543 -0.0994391 2.1120732 ] [ 2.7173216 2.5987617 -0.4150503 ] [ 2.0154229 1.8420138 2.0336959 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.111661e-11 -2.086654e-11 4.556561e-11 ] [ 1.864253e-11 2.2412845e-10 2.295343e-11 ] [ -1.650816e-11 3.2315286e-10 2.6471097e-10 ] [ 1.6724543e-10 -9.94391e-12 2.1120732e-10 ] [ 2.7173216e-10 2.5987617e-10 -4.150503e-11 ] [ 2.0154229e-10 1.8420138e-10 2.0336959e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.41e-05 0.000126 3.19e-05 ] [ -5.3e-06 -1.11e-05 6.63e-05 ] [ -4.49e-05 -8.8e-06 -7.38e-05 ] [ 1.27e-05 -0.0002097 2.7e-06 ] [ -8.2e-06 -1.26e-05 -3.06e-05 ] [ 1.17e-05 0.0001162 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.463422276928e-14 2.018742542208e-13 5.110943420352001e-14 ] [ -8.491536090240001e-15 -1.778416049088e-14 1.0622430995904e-13 ] [ -7.193773027392e-14 -1.409915426304e-14 -1.1824063461504e-13 ] [ 2.034764308416e-14 -3.3597643738176e-13 4.32587687616e-15 ] [ -1.313784829056e-14 -2.018742542208e-14 -4.902660459647999e-14 ] [ 1.874546646336e-14 1.8617292333696e-13 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.664004 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.349432437611769e-18 } }