{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9161199 -0.0973582 0.8296074 ] [ -0.3664845 0.9767203 0.0659217 ] [ 0.4348912 -1.0722524 -0.5464136 ] [ -0.0387415 0.8291622 0.1293009 ] [ -1.3444918 -0.2377589 1.1868686 ] [ -0.2914401 -0.5674573 -0.2620395 ] [ 0.6901468 0.1689443 -1.4032456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.467785885629634e-09 -1.559850318831706e-10 1.329177580722674e-09 ] [ -5.871728977855776e-10 1.564878429720762e-09 1.056182065433914e-10 ] [ 6.96772513231657e-10 -1.71793772687669e-09 -8.75451095207163e-10 ] [ -6.20707255547232e-11 1.328464291691094e-09 2.071628790283987e-10 ] [ -2.154113328817309e-09 -3.809317509671251e-10 1.901573122881627e-09 ] [ -4.669385145836141e-10 -9.09166819362292e-10 -4.198335606261216e-10 ] [ 1.105737067879933e-09 2.706786076774214e-10 -2.248247293560469e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.397078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.748625136663402e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0386181 2.3048573 1.979665 ] [ 2.3002056 2.9779226 4.2653257 ] [ 2.1232015 0.5925705 3.6549579 ] [ 4.3636301 0.2132606 2.8918742 ] [ 4.370126 2.2160758 1.6505831 ] [ 4.0620044 1.3929792 4.9565708 ] [ 4.5972204 3.3611436 3.6973755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0386181e-10 2.3048573e-10 1.979665e-10 ] [ 2.3002056e-10 2.9779226e-10 4.2653257e-10 ] [ 2.1232015e-10 5.925705e-11 3.6549579e-10 ] [ 4.3636301e-10 2.132606e-11 2.8918742e-10 ] [ 4.370126e-10 2.2160758e-10 1.6505831e-10 ] [ 4.062004400000001e-10 1.3929792e-10 4.956570799999999e-10 ] [ 4.5972204e-10 3.3611436e-10 3.697375500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.19e-05 8.7e-06 -1.41e-05 ] [ 1.19e-05 -3.8e-06 2.31e-05 ] [ 1.01e-05 -6e-07 2.73e-05 ] [ 9.2e-06 9.2e-06 -2.84e-05 ] [ -4e-07 -8.4e-06 1.66e-05 ] [ -3.23e-05 1.53e-05 -5.6e-06 ] [ -2.04e-05 -2.04e-05 -1.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.508766799552e-14 1.393893660096e-14 -2.259069035328e-14 ] [ 1.906590178752e-14 -6.08827115904e-15 3.701027994048e-14 ] [ 1.618198387008e-14 -9.6130597248e-16 4.373942174784e-14 ] [ 1.474002491136e-14 1.474002491136e-14 -4.550181603071999e-14 ] [ -6.408706483200001e-16 -1.345828361472e-14 2.659613190528e-14 ] [ -5.175030485184e-14 2.451330229824e-14 -8.972189076479999e-15 ] [ -3.268440306432e-14 -3.268440306432e-14 -3.012092047104e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }