{ "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" [ [ -0.3546052 -0.7215853 -0.678438 ] [ -4.0477055 1.2014685 -0.5972061 ] [ -2.3237582 -1.8637586 1.810704 ] [ 0.0 0.0 0.0 ] [ 2.6979588 -0.7569867 0.2757654 ] [ 2.9286821 1.2712142 -1.9501644 ] [ 1.0994281 0.8696479 1.1393391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.681401657348967e-10 -1.15610710709788e-09 -1.086977511217692e-09 ] [ -6.485139173413287e-09 1.924964757187029e-09 -9.568296591022673e-10 ] [ -3.723071091105898e-09 -2.986070480336552e-09 2.901067639890336e-09 ] [ 0.0 0.0 0.0 ] [ 4.322606548854679e-09 -1.212826402988768e-09 4.418248803456635e-10 ] [ 4.692266029034051e-09 2.036709688049002e-09 -3.12450783413863e-09 ] [ 1.761478012583015e-09 1.393329545187168e-09 1.825422484222589e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.077835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.614647175830739e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3994337 3.8172232 1.1124116 ] [ 2.5185938 4.5026328 1.7320071 ] [ 3.9954024 2.7194492 2.3460308 ] [ 5.5710816 1.7197896 1.0097028 ] [ 4.2140592 3.2435411 4.6497883 ] [ 3.4515844 6.0688657 0.3104026 ] [ 2.7514138 5.0162773 4.0600211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.994337e-11 3.8172232e-10 1.1124116e-10 ] [ 2.5185938e-10 4.5026328e-10 1.7320071e-10 ] [ 3.9954024e-10 2.7194492e-10 2.3460308e-10 ] [ 5.5710816e-10 1.7197896e-10 1.0097028e-10 ] [ 4.214059200000001e-10 3.2435411e-10 4.6497883e-10 ] [ 3.451584400000001e-10 6.0688657e-10 3.104026e-11 ] [ 2.7514138e-10 5.0162773e-10 4.0600211e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 -4.6e-06 7.6e-06 ] [ -6.9e-06 -1.03e-05 -1.24e-05 ] [ 1.48e-05 1.64e-05 1e-07 ] [ -1.34e-05 -2e-06 3.18e-05 ] [ -7.6e-06 2.08e-05 -8.18e-05 ] [ 2.51e-05 9e-07 -1.22e-05 ] [ -7.4e-06 -2.12e-05 6.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012516399999e-15 -7.370012516399999e-15 1.21765424184e-14 ] [ -1.10550187746e-14 -1.65024193302e-14 -1.98669902616e-14 ] [ 2.37122141832e-14 2.62756967976e-14 1.602176634e-16 ] [ -2.14691668956e-14 -3.204353268e-15 5.09492169612e-14 ] [ -1.21765424184e-14 3.332527398719999e-14 -1.310580486612e-13 ] [ 4.02146335134e-14 1.4419589706e-15 -1.95465549348e-14 ] [ -1.18561070916e-14 -3.39661446408e-14 1.071856168146e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.3396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.61789253289064e-18 } }