{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.797173 1.880519 2.621604 ] [ 2.732492 2.231734 4.550403 ] [ 1.229923 3.945183 3.396256 ] [ 3.798537 2.960677 2.455754 ] [ 3.373455 4.934702 3.584472 ] [ 4.913806 3.358248 4.34106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.797173e-10 1.880519e-10 2.621604e-10 ] [ 2.732492e-10 2.231734e-10 4.550403000000001e-10 ] [ 1.229923e-10 3.945183e-10 3.396256e-10 ] [ 3.798537e-10 2.960677e-10 2.455754e-10 ] [ 3.373455e-10 4.934702e-10 3.584472e-10 ] [ 4.913806e-10 3.358248e-10 4.34106e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3893611 -1.5675599 -2.0666091 ] [ 0.7109878 0.1030623 2.5045519 ] [ -0.3732141 0.8224066 0.5596616 ] [ 0.8347304 -0.4594012 -2.5950518 ] [ -0.5028856 1.4509262 0.073325 ] [ 0.7197425 -0.349434 1.5241224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.226001872268971e-09 -2.511507823483586e-09 -3.311072784352529e-09 ] [ 1.139128030834026e-09 1.651240075458758e-10 4.01273449976022e-09 ] [ -5.979549055729134e-10 1.317640627311617e-09 8.966767310795212e-10 ] [ 1.337385531551032e-09 -7.360418622074649e-10 -4.157731323724957e-09 ] [ -8.057115512569805e-10 2.324640036146185e-09 1.1747960072016e-10 ] [ 1.153154606496144e-09 -5.598549853126273e-10 2.441913276517586e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.44183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.114924549156806e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0219445 1.9797441 2.5639243 ] [ 2.5323701 2.1654885 4.9049927 ] [ 1.3270911 3.9234224 3.7947547 ] [ 4.0495716 3.0375098 2.038085 ] [ 3.3545736 4.9813224 3.2686224 ] [ 4.559835 3.2235758 4.3791698 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0219445e-10 1.9797441e-10 2.5639243e-10 ] [ 2.5323701e-10 2.1654885e-10 4.904992700000001e-10 ] [ 1.3270911e-10 3.9234224e-10 3.7947547e-10 ] [ 4.0495716e-10 3.0375098e-10 2.038085e-10 ] [ 3.3545736e-10 4.9813224e-10 3.2686224e-10 ] [ 4.559835e-10 3.2235758e-10 4.3791698e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.55e-05 -2.24e-05 1.4e-06 ] [ -1.81e-05 -3e-07 8.63e-05 ] [ -2.21e-05 1.4e-05 -2.43e-05 ] [ 2.66e-05 2.26e-05 -5.48e-05 ] [ -1.9e-06 3.07e-05 2.56e-05 ] [ -1e-05 -4.46e-05 -3.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.08555038304e-14 -3.588875630592e-14 2.24304726912e-15 ] [ -2.899939683648e-14 -4.8065298624e-16 1.3826784237504e-13 ] [ -3.540810331968e-14 2.24304726912e-14 -3.893289188544e-14 ] [ 4.261789811328e-14 3.620919163008e-14 -8.779927881984e-14 ] [ -3.04413557952e-15 4.918682225856e-14 4.101572149248001e-14 ] [ -1.6021766208e-14 -7.145707728768e-14 -5.495465809344e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.411418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27026967169763e-18 } }