{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.889016 4.339495 1.275975 ] [ 2.554838 3.101562 2.999193 ] [ 4.055705 3.657127 1.332404 ] [ 4.476672 4.505138 3.486766 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.889016e-10 4.339495e-10 1.275975e-10 ] [ 2.554838e-10 3.101562e-10 2.999193e-10 ] [ 4.055705e-10 3.657127e-10 1.332404e-10 ] [ 4.476672e-10 4.505138e-10 3.486766e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.006417 5.3449231 -5.712966 ] [ -11.4772819 -9.7988996 14.1397005 ] [ 14.7561501 -0.2058918 -14.5099155 ] [ 5.7275487 4.6598683 6.083181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.442987075457567e-08 8.56351083079386e-09 -9.153180560625292e-09 ] [ -1.8388632730511e-08 -1.569956784868647e-08 2.265429756621407e-08 ] [ 2.364195870323558e-08 -3.298750283744295e-10 -2.324744738388354e-08 ] [ 9.176544621633432e-09 7.465932046267041e-09 9.746330378294765e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0628443 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.131592401381054e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7526094 3.8379692 0.9742381 ] [ 2.3884184 3.5803365 3.271239 ] [ 4.0996367 4.2216465 1.2759832 ] [ 4.7355664 3.9633697 3.5728778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7526094e-10 3.8379692e-10 9.742381e-11 ] [ 2.3884184e-10 3.5803365e-10 3.271239e-10 ] [ 4.0996367e-10 4.221646500000001e-10 1.2759832e-10 ] [ 4.7355664e-10 3.9633697e-10 3.5728778e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.44e-05 7.55e-05 9.1e-06 ] [ -0.0001732 -0.0001458 0.0001196 ] [ 0.000223 -2.93e-05 -0.0001468 ] [ 4.46e-05 9.96e-05 1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.5124547300352e-13 1.209643348704e-13 1.457980724928e-14 ] [ -2.7749699072256e-13 -2.3359735131264e-13 1.9162032384768e-13 ] [ 3.572853864384e-13 -4.694377498944e-14 -2.3519952793344e-13 ] [ 7.145707728768e-14 1.5957679143168e-13 2.899939683648e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.092646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.937455470481064e-18 } }