{ "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" [ [ 0.5679801 0.7633564 0.9423091 ] [ 0.2455229 2.923672 2.888178 ] [ 2.982858 0.4812947 0.275924 ] [ 2.014612 0.8507009 1.879414 ] [ 2.889268 2.773535 0.4342581 ] [ 2.382569 2.78537 2.868502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.679801e-11 7.633564000000001e-11 9.423091e-11 ] [ 2.455229e-11 2.923672e-10 2.888178e-10 ] [ 2.982858e-10 4.812947e-11 2.75924e-11 ] [ 2.014612e-10 8.507009e-11 1.879414e-10 ] [ 2.889268e-10 2.773535e-10 4.342581e-11 ] [ 2.382569e-10 2.78537e-10 2.868502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1075.9171742 1825.8234504 1186.1046731 ] [ -1333.8582525 -204.2790265 -879.3227427 ] [ 73.7990883 17.7380681 -99.7645376 ] [ 2115.9622907 -1622.1335691 -178.7248542 ] [ 16.5431657 -7.5696024 -21.7688346 ] [ 203.470882 -9.5793205 -6.523704 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.723809342420441e-06 2.925291645939268e-06 1.900349177062446e-06 ] [ -2.137076507616643e-06 -3.272910803780837e-07 -1.408830340491674e-06 ] [ 1.182391739106148e-07 2.841951800797828e-08 -1.598404097276426e-07 ] [ 3.390145312653953e-06 -2.598944480226881e-06 -2.863487829551287e-07 ] [ 2.650507331856047e-08 -1.212783999403157e-08 -3.487751785818212e-08 ] [ 3.259962901539556e-07 -1.534776334825016e-08 -1.045212602981944e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 309.76492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.962981127679824e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0377738 0.4660379 1.0744588 ] [ -0.1111734 2.9473919 2.3778004 ] [ 2.5605069 0.6386951 -0.2977797 ] [ 2.5335889 0.311652 2.6274667 ] [ 3.4696719 3.1924688 0.4299964 ] [ 2.592442 3.0216833 3.0766425 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.77738e-12 4.660379e-11 1.0744588e-10 ] [ -1.111734e-11 2.9473919e-10 2.3778004e-10 ] [ 2.5605069e-10 6.386951e-11 -2.977797e-11 ] [ 2.5335889e-10 3.11652e-11 2.6274667e-10 ] [ 3.4696719e-10 3.1924688e-10 4.299964e-11 ] [ 2.592442e-10 3.0216833e-10 3.0766425e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 3.5e-06 1.21e-05 ] [ -6.7e-06 7e-07 -8e-07 ] [ 9.5e-06 -0.0 -2.7e-06 ] [ -2.7e-06 -2.7e-06 -2.8e-06 ] [ 4.3e-06 4.2e-06 -4.2e-06 ] [ -1.6e-06 -5.8e-06 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.48609453824e-15 5.6076181728e-15 1.938633711168e-14 ] [ -1.073458335936e-14 1.12152363456e-15 -1.28174129664e-15 ] [ 1.52206778976e-14 0.0 -4.32587687616e-15 ] [ -4.32587687616e-15 -4.32587687616e-15 -4.48609453824e-15 ] [ 6.889359469440001e-15 6.72914180736e-15 -6.72914180736e-15 ] [ -2.56348259328e-15 -9.292624400640001e-15 -2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026765566808e-18 } }