{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8294869 -2.3382453 -1.2953446 ] [ -0.4283503 1.0190838 1.2051943 ] [ 1.1100325 1.6613992 -1.1714407 ] [ 0.7046657 -0.3474641 0.7734428 ] [ 1.5171858 -0.4407571 2.3265309 ] [ -1.4567994 1.1187277 -1.0273372 ] [ -0.6172474 -0.6727443 -0.8110456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.328984529389095e-09 -3.746281984220319e-09 -2.075370851098076e-09 ] [ -6.862928418268902e-10 1.632752252447929e-09 1.930934146889986e-09 ] [ 1.778468134480605e-09 2.661854977986293e-09 -1.876854917656604e-09 ] [ 1.128998919321254e-09 -5.566988621738394e-10 1.239191981895535e-09 ] [ 2.430799638196597e-09 -7.061707268896013e-10 3.72751344625899e-09 ] [ -2.334049959105219e-09 1.792399380748562e-09 -1.645975657078985e-09 ] [ -9.889393616772515e-10 -1.077855198116686e-09 -1.29943830942851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.048922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.372409099928855e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9545981 1.85916 1.9336011 ] [ 1.8905951 2.5642557 3.8745424 ] [ 2.5794436 4.0347658 1.0608929 ] [ 2.1151227 4.8110187 3.1895584 ] [ 4.9963695 2.5595888 2.9216377 ] [ 4.8539399 3.7848924 0.9932515 ] [ 3.8188842 3.7711316 4.501217 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9545981e-10 1.85916e-10 1.9336011e-10 ] [ 1.8905951e-10 2.5642557e-10 3.8745424e-10 ] [ 2.5794436e-10 4.0347658e-10 1.0608929e-10 ] [ 2.1151227e-10 4.8110187e-10 3.1895584e-10 ] [ 4.9963695e-10 2.5595888e-10 2.9216377e-10 ] [ 4.8539399e-10 3.7848924e-10 9.932515e-11 ] [ 3.8188842e-10 3.7711316e-10 4.501217e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.53e-05 4.32e-05 2.12e-05 ] [ -2.2e-06 -2.06e-05 1.48e-05 ] [ -7.2e-06 1.33e-05 -4.21e-05 ] [ 3.57e-05 -4.52e-05 -1.67e-05 ] [ -3.25e-05 -7.8e-06 -2.86e-05 ] [ -5.6e-06 -5.7e-06 1.04e-05 ] [ -3.5e-06 2.28e-05 4.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.45133025002e-14 6.92140305888e-14 3.39661446408e-14 ] [ -3.5247885948e-15 -3.300483866039999e-14 2.37122141832e-14 ] [ -1.15356717648e-14 2.13089492322e-14 -6.745163629139998e-14 ] [ 5.719770583379999e-14 -7.24183838568e-14 -2.67563497878e-14 ] [ -5.207074060499999e-14 -1.24969777452e-14 -4.58222517324e-14 ] [ -8.972189150399999e-15 -9.1324068138e-15 1.66626369936e-14 ] [ -5.607618218999999e-15 3.65296272552e-14 6.568924199399999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.704295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.637629094044303e-18 } }