{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4961691 3.2520831 -3.7087568 ] [ 0.9013336 -1.0778955 5.8316272 ] [ 0.1533209 -0.7591859 -1.7386039 ] [ -3.9816513 -4.0705559 4.0251873 ] [ 3.0563897 2.4166075 -4.3464481 ] [ -2.4029637 -0.6228207 -1.7780488 ] [ 3.7697398 0.8617674 1.7150431 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.397127152783377e-09 5.210411511718789e-09 -5.942083437193022e-09 ] [ 1.444095621461499e-09 -1.726978969765526e-09 9.343296761061366e-09 ] [ 2.456471614600148e-10 -1.216349899821007e-09 -2.785550521411701e-09 ] [ -6.379308625037927e-09 -6.521749496639502e-09 6.449060986401076e-09 ] [ 4.896876121393927e-09 3.871832038149936e-09 -6.96377752934058e-09 ] [ -3.849972260771065e-09 -9.978687644902907e-10 -2.848748218001495e-09 ] [ 6.039788974059268e-09 1.380703580847602e-09 2.747801958484357e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.464919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.079929787236571e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9051649 1.3116898 2.6290848 ] [ 2.4761155 3.0015516 0.9256769 ] [ 0.8222784 2.5772238 2.6655807 ] [ 2.0139073 2.1306912 4.74479 ] [ 2.8573947 3.8106355 3.193129 ] [ 4.6898769 2.8172786 1.9295755 ] [ 4.4042153 2.2790624 4.2899167 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9051649e-10 1.3116898e-10 2.6290848e-10 ] [ 2.4761155e-10 3.0015516e-10 9.256769000000001e-11 ] [ 8.222784e-11 2.5772238e-10 2.6655807e-10 ] [ 2.0139073e-10 2.1306912e-10 4.74479e-10 ] [ 2.8573947e-10 3.8106355e-10 3.193129e-10 ] [ 4.6898769e-10 2.8172786e-10 1.9295755e-10 ] [ 4.4042153e-10 2.2790624e-10 4.2899167e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.19e-05 -2.79e-05 3.1e-06 ] [ 2.75e-05 7.3e-06 4.44e-05 ] [ -4e-06 -1e-05 -2.68e-05 ] [ 2.65e-05 2.8e-05 -0.0 ] [ -1.07e-05 -6e-07 4.8e-06 ] [ -1.45e-05 1.51e-05 -2.28e-05 ] [ -1.29e-05 -1.18e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.906590178752e-14 -4.470072772032e-14 4.96674752448e-15 ] [ 4.4059857072e-14 1.169588933184e-14 7.113664196352e-14 ] [ -6.4087064832e-15 -1.6021766208e-14 -4.293833343744e-14 ] [ 4.24576804512e-14 4.48609453824e-14 0.0 ] [ -1.714328984256e-14 -9.6130597248e-16 7.69044777984e-15 ] [ -2.32315610016e-14 2.419286697408e-14 -3.652962695424e-14 ] [ -2.066807840832e-14 -1.890568412544e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }