{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.6079 1.726733 2.75301 ] [ 2.002918 3.986459 1.396167 ] [ 4.133267 4.619556 1.499098 ] [ 3.466505 3.469363 3.287809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6079e-10 1.726733e-10 2.75301e-10 ] [ 2.002918e-10 3.986459e-10 1.396167e-10 ] [ 4.133267e-10 4.619556e-10 1.499098e-10 ] [ 3.466505e-10 3.469363e-10 3.287809000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1696101 1.9863103 -0.5319272 ] [ -2.4273578 -1.4804926 0.1377788 ] [ 2.3083476 1.3297206 -1.4244547 ] [ -1.0505998 -1.8355383 1.8186031 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.87392195767155e-09 3.182419924314234e-09 -8.522413238076059e-10 ] [ -3.889055917476522e-09 -2.372010630987406e-09 2.207459722018791e-10 ] [ 3.69838055739979e-09 2.130447257516148e-09 -2.282228017728678e-09 ] [ -1.683246437377156e-09 -2.940856550842977e-09 2.913723369334405e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3106777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.491735013474392e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7706773 1.8874132 2.636344 ] [ 1.8711177 3.9410121 1.4488011 ] [ 4.169013 4.5387457 1.447268 ] [ 3.3997819 3.43494 3.4036709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7706773e-10 1.8874132e-10 2.636344e-10 ] [ 1.8711177e-10 3.9410121e-10 1.4488011e-10 ] [ 4.169013e-10 4.5387457e-10 1.447268e-10 ] [ 3.3997819e-10 3.43494e-10 3.4036709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 3.1e-06 -2e-07 ] [ -7.5e-06 -5.1e-06 -6.3e-06 ] [ 1.5e-06 1.8e-06 6.3e-06 ] [ 1e-05 2e-07 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-15 4.96674752448e-15 -3.2043532416e-16 ] [ -1.2016324656e-14 -8.17110076608e-15 -1.009371271104e-14 ] [ 2.4032649312e-15 2.88391791744e-15 1.009371271104e-14 ] [ 1.6021766208e-14 3.2043532416e-16 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.026357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.606399477719443e-18 } }