{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1267093e-10 2.7027086e-10 1.0804865e-10 ] [ 1.7794825e-10 4.9212543e-10 1.8236062e-10 ] [ 2.2230333e-10 2.9354349e-10 3.4264594e-10 ] [ 4.425752e-10 3.1057289e-10 9.342457e-11 ] [ 4.5715396e-10 2.9154816e-10 3.2643882e-10 ] [ 4.0046866e-10 5.3937985e-10 1.1822038e-10 ] [ 3.7703656e-10 5.113372100000001e-10 3.5089743e-10 ] ] "source-value" [ [ 2.1267093 2.7027086 1.0804865 ] [ 1.7794825 4.9212543 1.8236062 ] [ 2.2230333 2.9354349 3.4264594 ] [ 4.425752 3.1057289 0.9342457 ] [ 4.5715396 2.9154816 3.2643882 ] [ 4.0046866 5.3937985 1.1822038 ] [ 3.7703656 5.1133721 3.5089743 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 4.30793249800704e-12 5.1413847761472e-12 8.6068928069376e-13 ] [ 3.71640888960768e-12 -3.73996088593344e-12 4.322352087594241e-12 ] [ 1.5989722675584e-13 -2.69502129384768e-12 -2.899939683648e-12 ] [ -1.97179876721856e-12 -3.2988816622272e-13 3.772805506659841e-12 ] [ -6.49890902695104e-12 4.71136057112448e-12 -1.76784168339072e-12 ] [ -2.03011799621568e-12 -2.12384532853248e-12 -3.72073476648384e-12 ] [ 2.31658717601472e-12 -9.641898903974399e-13 -5.6733074142528e-13 ] ] "source-value" [ [ 0.0026888 0.003209 0.0005372 ] [ 0.0023196 -0.0023343 0.0026978 ] [ 9.98e-05 -0.0016821 -0.00181 ] [ -0.0012307 -0.0002059 0.0023548 ] [ -0.0040563 0.0029406 -0.0011034 ] [ -0.0012671 -0.0013256 -0.0023223 ] [ 0.0014459 -0.0006018 -0.0003541 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.676269078073792e-18 "source-value" -22.945467 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.028824879465032e-09 -3.18302506642391e-10 -1.469122261149043e-10 ] [ -4.898024561595715e-09 1.905464169022902e-09 -9.966248345619013e-10 ] [ -1.579762169875008e-09 -1.498808350885198e-09 8.414934423822933e-10 ] [ -3.302337717415928e-09 1.614041379547672e-09 2.494668306328329e-09 ] [ 3.367343470322294e-09 -1.320080261652109e-09 -8.335115586751296e-10 ] [ 3.452105663139746e-09 -6.034250569916487e-10 -1.333798898967709e-09 ] [ 9.318502757419162e-10 2.211106276007731e-10 -2.531439060864e-11 ] ] "source-value" [ [ 1.2662929 -0.1986688 -0.0916954 ] [ -3.0571065 1.1892972 -0.6220443 ] [ -0.98601 -0.9354826 0.5252189 ] [ -2.0611571 1.0074054 1.5570495 ] [ 2.1017305 -0.8239293 -0.520237 ] [ 2.1546349 -0.3766283 -0.8324918 ] [ 0.5816152 0.1380064 -0.0158 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.422467158049229e-18 "source-value" -21.36136 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "instance-id" 1 }