{ "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" [ [ 0.563951 0.9225225 1.195567 ] [ 1.348432 0.3073599 2.755625 ] [ 0.2422324 2.903648 2.041824 ] [ 2.040932 0.0344744 0.838059 ] [ 2.055265 2.344707 1.01543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63951e-11 9.225225000000001e-11 1.195567e-10 ] [ 1.348432e-10 3.073599e-11 2.755625000000001e-10 ] [ 2.422324e-11 2.903648e-10 2.041824e-10 ] [ 2.040932e-10 3.447440000000001e-12 8.38059e-11 ] [ 2.055265e-10 2.344707e-10 1.01543e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.8964037 2.2882471 -3.9760506 ] [ 1.3457862 -4.5553722 9.7984431 ] [ -1.6851018 3.0068014 1.1258324 ] [ 8.1431034 -4.6569849 -4.3614732 ] [ 4.0926158 3.9173087 -2.5867517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.906014003677115e-08 3.666176036438261e-09 -6.37033536692168e-09 ] [ 2.156187203999651e-09 -7.298510898013174e-09 1.569883658439852e-08 ] [ -2.699830729871341e-09 4.817426946158487e-09 1.803782365080141e-09 ] [ 1.304668999572595e-08 -7.461312391670826e-09 -6.987850450857208e-09 ] [ 6.557093406699217e-09 6.276220467304915e-09 -4.144433131699778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.297328532689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.487255997696898e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.1972618 0.8247408 0.6443527 ] [ 1.5548184 0.5941625 3.1768593 ] [ 0.4330386 2.4766061 2.2415125 ] [ 2.0672911 0.1284882 0.8970867 ] [ 2.3929261 2.4887143 0.8866939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.972618e-11 8.247408e-11 6.443527000000001e-11 ] [ 1.5548184e-10 5.941625000000001e-11 3.1768593e-10 ] [ 4.330386e-11 2.4766061e-10 2.2415125e-10 ] [ 2.0672911e-10 1.284882e-11 8.970867e-11 ] [ 2.3929261e-10 2.4887143e-10 8.866939000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.89e-05 1.96e-05 -5.42e-05 ] [ 3.43e-05 7.1e-06 6.55e-05 ] [ -1.21e-05 -1.34e-05 7.7e-06 ] [ 1.1e-05 -6.54e-05 -1.13e-05 ] [ 1.58e-05 5.2e-05 -7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.834643740259999e-14 3.140266202639999e-14 -8.68379735628e-14 ] [ 5.49546585462e-14 1.13754541014e-14 1.04942569527e-13 ] [ -1.93863372714e-14 -2.14691668956e-14 1.23367600818e-14 ] [ 1.7623942974e-14 -1.047823518636e-13 -1.81045959642e-14 ] [ 2.53143908172e-14 8.331318496799998e-14 -1.23367600818e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }