{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.551456 3.6438475 1.4928883 ] [ -1.1576264 -3.63002 -1.0209815 ] [ 1.3103596 -1.0085069 0.4287409 ] [ 0.0 0.0 0.0 ] [ -2.4166505 3.2477403 1.769528 ] [ 1.9708536 1.0801305 -1.3980282 ] [ 0.8445197 -3.3331915 -1.2721475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.835299105998848e-10 5.838087274260528e-09 2.391870731725857e-09 ] [ -1.854721953700869e-09 -5.815933177036416e-09 -1.635792689569315e-09 ] [ 2.09942751596084e-09 -1.615806177095483e-09 6.869186463607508e-10 ] [ 0.0 0.0 0.0 ] [ -3.87190093174463e-09 5.203453579089979e-09 2.835096391450982e-09 ] [ 3.157655560939515e-09 1.730559834513015e-09 -2.239888097259107e-09 ] [ 1.35306971914503e-09 -5.340361493949283e-09 -2.038204982709168e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0300129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.286549893310241e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0188109 2.4066493 -0.2605581 ] [ 1.9741027 3.689717 1.2581013 ] [ 2.5662587 3.1680603 3.3132948 ] [ 4.758388 2.994993 0.5845722 ] [ 4.0803263 3.846292 4.7573592 ] [ 2.7372318 5.7141531 0.7801554 ] [ 5.7664506 5.2679142 4.7874394 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0188109e-10 2.4066493e-10 -2.605581e-11 ] [ 1.9741027e-10 3.689717e-10 1.2581013e-10 ] [ 2.5662587e-10 3.1680603e-10 3.3132948e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.080326300000001e-10 3.846292e-10 4.7573592e-10 ] [ 2.7372318e-10 5.7141531e-10 7.801554e-11 ] [ 5.7664506e-10 5.2679142e-10 4.7874394e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0669616 0.1149259 0.2373021 ] [ 0.2020185 1.1225148 -1.0434582 ] [ -0.0309144 -0.3076191 0.4554688 ] [ 0.0 0.0 0.0 ] [ 0.7854238 0.622362 0.059666 ] [ -0.4818791 -1.0202035 0.1222692 ] [ -0.5416104 -0.5319801 0.168752 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.072843100113613e-10 1.841315901043987e-10 3.801998766867437e-10 ] [ 3.236693176690848e-10 1.798466969061988e-09 -1.671804332822051e-09 ] [ -4.953032892605953e-11 -4.928601301315372e-10 7.297414628638311e-10 ] [ 0.0 0.0 0.0 ] [ 1.258387649779895e-09 9.971338460743295e-10 9.55954702566528e-11 ] [ -7.720554280721453e-10 -1.634546196158333e-09 1.958968536839193e-10 ] [ -8.677555204621364e-10 -8.523260789508461e-10 2.703705091132416e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.808513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.052150007581287e-18 } }