{ "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" [ [ 2.10043 2.130682 2.453785 ] [ 1.948071 1.785129 4.606922 ] [ 2.343053 4.336787 1.957735 ] [ 4.413531 1.079857 2.965455 ] [ 3.524463 3.435576 3.796327 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.10043e-10 2.130682e-10 2.453785e-10 ] [ 1.948071e-10 1.785129e-10 4.606922e-10 ] [ 2.343053e-10 4.336787e-10 1.957735e-10 ] [ 4.413531e-10 1.079857e-10 2.965455e-10 ] [ 3.524463e-10 3.435576e-10 3.796327e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -61.4841905 -70.3080033 -109.8575549 ] [ -5.9083746 -7.3745097 66.4303439 ] [ -1.558275 39.5486093 -16.3967696 ] [ 15.2807988 -13.9952229 -3.5625792 ] [ 53.6700413 52.1291266 63.3865598 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.850853256791346e-08 -1.126458391423892e-07 -1.760112060790325e-07 ] [ -9.466259651048552e-09 -1.181526703120282e-08 1.064331439082839e-07 ] [ -2.49663177377712e-09 6.336385720561346e-08 -2.627052090976416e-08 ] [ 2.448253858450869e-08 -2.242281893326478e-08 -5.707881103988367e-09 ] [ 8.598888540823045e-08 8.35200679012434e-08 1.015564641845011e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 47.906549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.675475279100962e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6526937 1.5720447 1.8652169 ] [ 1.8529277 1.838953 4.7986225 ] [ 2.4007233 4.3535924 1.9659061 ] [ 4.4077556 1.2216511 2.8667284 ] [ 4.0154477 3.7817899 4.2837501 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6526937e-10 1.5720447e-10 1.8652169e-10 ] [ 1.8529277e-10 1.838953e-10 4.798622499999999e-10 ] [ 2.4007233e-10 4.3535924e-10 1.9659061e-10 ] [ 4.4077556e-10 1.2216511e-10 2.8667284e-10 ] [ 4.0154477e-10 3.7817899e-10 4.2837501e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.88e-05 2.27e-05 3.76e-05 ] [ -6.4e-06 -1.52e-05 1.9e-05 ] [ 4.1e-05 -2.85e-05 -1.46e-05 ] [ -1.94e-05 4.76e-05 -2.52e-05 ] [ -3.41e-05 -2.67e-05 -1.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.012092047104e-14 3.636940929216e-14 6.024184094208e-14 ] [ -1.025393037312e-14 -2.435308463616e-14 3.04413557952e-14 ] [ 6.56892414528e-14 -4.56620336928e-14 -2.339177866368e-14 ] [ -3.108222644352e-14 7.626360715008e-14 -4.037485084416e-14 ] [ -5.463422276928e-14 -4.277811577536e-14 -2.707678489152e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }