{ "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" [ [ 0.9701738 0.435353 0.8614305 ] [ 0.785215 2.880742 2.663197 ] [ 2.41347 1.4145 0.9828772 ] [ 2.657499 1.219941 2.828683 ] [ 1.63309 2.566255 0.271655 ] [ 2.657105 2.943765 2.654332 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.701738e-11 4.35353e-11 8.614305e-11 ] [ 7.85215e-11 2.880742e-10 2.663197e-10 ] [ 2.41347e-10 1.4145e-10 9.828772e-11 ] [ 2.657499e-10 1.219941e-10 2.828683e-10 ] [ 1.63309e-10 2.566255e-10 2.71655e-11 ] [ 2.657105e-10 2.943765e-10 2.654332e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.5664823 -28.4857226 -1.4499454 ] [ -30.2327562 4.1421359 1.6620115 ] [ 84.4112494 -67.4055354 10.1100223 ] [ 3.0939743 -45.1820467 27.8217048 ] [ -49.811788 84.1947036 -40.200556 ] [ 26.1058029 52.7364651 2.0567629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.377943362663457e-08 -4.563915915232572e-08 -2.323068640455783e-09 ] [ -4.843821556505863e-08 6.63643335383256e-09 2.662835990739291e-09 ] [ 1.352417314354265e-07 -1.079955738201398e-07 1.619804149827894e-08 ] [ 4.957093329656506e-09 -7.23896194990368e-08 4.457528534860564e-08 ] [ -7.980728283136159e-08 1.348947868144757e-07 -6.44083914970085e-08 ] [ 4.182610741818944e-08 8.449313214297645e-08 3.295297460058078e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 43.400217 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.953481358792956e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6962677 -0.7897648 0.8128773 ] [ 0.9280799 4.2302341 2.2281254 ] [ 2.4016443 0.8687526 0.522391 ] [ 3.4980041 1.1177653 2.7283922 ] [ 1.2193948 2.9890171 0.0353649 ] [ 2.3731619 3.0445517 3.9350239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.962677e-11 -7.897648e-11 8.128773e-11 ] [ 9.280799e-11 4.2302341e-10 2.2281254e-10 ] [ 2.4016443e-10 8.687526e-11 5.223910000000001e-11 ] [ 3.4980041e-10 1.1177653e-10 2.7283922e-10 ] [ 1.2193948e-10 2.9890171e-10 3.53649e-12 ] [ 2.3731619e-10 3.0445517e-10 3.9350239e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 -2.55e-05 9.7e-06 ] [ 2.57e-05 -1.04e-05 1.5e-05 ] [ -3.5e-06 2.18e-05 7.2e-06 ] [ -1.03e-05 1.52e-05 -6.4e-06 ] [ 2.8e-06 6.8e-06 -1.95e-05 ] [ -1.22e-05 -7.9e-06 -6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.165659248399999e-15 -4.0855504167e-14 1.55411133498e-14 ] [ 4.11759394938e-14 -1.66626369936e-14 2.403264951e-14 ] [ -5.607618218999999e-15 3.492745062119999e-14 1.15356717648e-14 ] [ -1.65024193302e-14 2.43530848368e-14 -1.02539304576e-14 ] [ 4.486094575199999e-15 1.08948011112e-14 -3.1242444363e-14 ] [ -1.95465549348e-14 -1.26571954086e-14 -9.613059803999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.954651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.716434566982473e-18 } }