{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.635738 2.275834 0.8013506 ] [ 2.939619 0.762978 3.027642 ] [ 4.571028 2.353947 2.00113 ] [ 3.548969 3.060298 4.401477 ] [ 3.268552 4.224197 2.762666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.635738e-10 2.275834e-10 8.013506000000001e-11 ] [ 2.939619e-10 7.629780000000001e-11 3.027642e-10 ] [ 4.571028e-10 2.353947e-10 2.00113e-10 ] [ 3.548969e-10 3.060298e-10 4.401477e-10 ] [ 3.268552e-10 4.224197e-10 2.762666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2893052 0.8957977 0.4221512 ] [ 0.3281245 2.4496958 1.6245298 ] [ 2.8620595 -0.5447821 -0.0511625 ] [ 0.1745214 -7.4793732 5.6710835 ] [ -2.0754002 4.6786619 -7.666602 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.065694648515868e-09 1.435226131906412e-09 6.763607830826649e-10 ] [ 5.257134026116896e-10 3.924845338831953e-09 2.6027836653529e-09 ] [ 4.585524818238537e-09 -8.728371440503279e-10 -8.197136136168e-11 ] [ 2.796141069092851e-10 -1.198327687927808e-08 9.086077398304638e-09 ] [ -3.325157679243644e-09 7.496042712807707e-09 -1.228325048537852e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1403234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.304223583723117e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3920325 2.3592249 1.0223176 ] [ 3.2250608 1.1015066 3.1029657 ] [ 4.9350952 2.2540497 1.5692464 ] [ 2.9623445 2.8991762 4.6702361 ] [ 3.449373 4.0632966 2.6294998 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3920325e-10 2.3592249e-10 1.0223176e-10 ] [ 3.2250608e-10 1.1015066e-10 3.1029657e-10 ] [ 4.9350952e-10 2.2540497e-10 1.5692464e-10 ] [ 2.9623445e-10 2.8991762e-10 4.670236100000001e-10 ] [ 3.449373e-10 4.0632966e-10 2.6294998e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.29e-05 -1.4e-05 8.2e-06 ] [ -5e-06 3.27e-05 2.7e-06 ] [ -4.14e-05 6.7e-06 -1.86e-05 ] [ 0.0 1.9e-06 -1.98e-05 ] [ 3.4e-06 -2.74e-05 2.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.873337703232e-14 -2.24304726912e-14 1.313784829056e-14 ] [ -8.010883104e-15 5.239117550016001e-14 4.32587687616e-15 ] [ -6.633011210111999e-14 1.073458335936e-14 -2.980048514688e-14 ] [ 0.0 3.04413557952e-15 -3.172309709184e-14 ] [ 5.44740051072e-15 -4.389963940992e-14 4.389963940992e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363098921002e-18 } }