{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8445284 0.280563 -0.2453227 ] [ 0.0141983 -0.3849991 -1.0476746 ] [ 5.5595544 2.4210941 -4.955817 ] [ -1.8916513 -5.0183868 1.3107426 ] [ 0.5634771 -0.5567443 -1.2003164 ] [ 0.8973755 3.3280139 5.6848688 ] [ -1.2984256 -0.0695409 0.4535193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.159613520481631e-09 4.495114792615104e-10 -3.930502944915322e-10 ] [ 2.274818431510464e-11 -6.168365570490413e-10 -1.678559750325992e-09 ] [ 8.907388081745771e-09 3.879020363776817e-09 -7.940094134363192e-09 ] [ -3.030759487565927e-09 -8.040342005091326e-09 2.100041149606606e-09 ] [ 9.027898359761836e-10 -8.920027012236614e-10 -1.923118873642821e-09 ] [ 1.437754046178711e-09 5.332066064277429e-09 9.108163883675353e-09 ] [ -2.080307140168213e-09 -1.114168041693907e-10 7.266180195415816e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4200821 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.188828206503657e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4941718 2.5182455 0.0585938 ] [ 1.9556855 3.8125435 1.7645356 ] [ 4.4423087 2.4404052 1.0949137 ] [ 4.4951872 -0.0408237 3.0590395 ] [ 5.7086342 0.2845386 4.439144 ] [ 5.0648139 4.3032655 5.0506644 ] [ 4.8697827 5.0397294 3.3470018 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4941718e-10 2.5182455e-10 5.85938e-12 ] [ 1.9556855e-10 3.8125435e-10 1.7645356e-10 ] [ 4.4423087e-10 2.4404052e-10 1.0949137e-10 ] [ 4.495187200000001e-10 -4.08237e-12 3.0590395e-10 ] [ 5.7086342e-10 2.845386e-11 4.439144e-10 ] [ 5.0648139e-10 4.3032655e-10 5.0506644e-10 ] [ 4.869782700000001e-10 5.0397294e-10 3.3470018e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0004178 -0.0004995 0.0003727 ] [ -0.0002472 0.0012135 -0.0009545 ] [ -0.0004319 0.0001011 0.0004447 ] [ 0.0021967 0.0003087 0.0007553 ] [ -0.0010997 -0.0011238 -0.0006183 ] [ 6.9e-06 -2.59e-05 6e-05 ] [ -6.9e-06 2.59e-05 -6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.6938939217024e-13 -8.002872220896001e-13 5.971312265721601e-13 ] [ -3.9605806066176e-13 1.9442413293408e-12 -1.5292775845536e-12 ] [ -6.9198008252352e-13 1.6198005636288e-13 7.1248794326976e-13 ] [ 3.51950138291136e-12 4.945919228409601e-13 1.21012400169024e-12 ] [ -1.76191362989376e-12 -1.80052608645504e-12 -9.906258046406401e-13 ] [ 1.105501868352e-14 -4.149637447872e-14 9.6130597248e-14 ] [ -1.105501868352e-14 4.149637447872e-14 -9.6130597248e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.919234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.793589722704447e-18 } }