{ "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" [ [ 0.8164278 0.1663691 0.8726527 ] [ 0.2293415 1.783801 2.502887 ] [ 2.371717 0.4239938 0.3261347 ] [ 1.905698 2.704881 0.8462502 ] [ 2.020767 2.181943 2.752956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.164278e-11 1.663691e-11 8.726527e-11 ] [ 2.293415e-11 1.783801e-10 2.502887e-10 ] [ 2.371717e-10 4.239938e-11 3.261347e-11 ] [ 1.905698e-10 2.704881e-10 8.462502e-11 ] [ 2.020767e-10 2.181943e-10 2.752956e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.6802395 -11.7324458 0.8355705 ] [ -13.1638723 -2.038252 4.4449052 ] [ 15.627192 -1.6327458 -8.7082383 ] [ 5.0326599 10.1793661 -9.0473381 ] [ 10.18426 5.2240775 12.4751007 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.832686637704468e-08 -1.879745036556316e-08 1.338731520130166e-09 ] [ -2.109084843825672e-08 -3.265639701698841e-09 7.121523193112348e-09 ] [ 2.50375216711528e-08 -2.615947148469393e-09 -1.395213581261514e-08 ] [ 8.063210032217666e-09 1.630914237998407e-08 -1.449543358429309e-08 ] [ 1.631698327214861e-08 8.369894835747311e-09 1.998731468366572e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.0334688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.064506032886231e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3950906 -0.1837921 0.9996608 ] [ 0.0677394 1.2083696 2.8810824 ] [ 2.2062672 0.6849192 -0.2453329 ] [ 2.998196 2.6140568 0.8665588 ] [ 1.6766582 2.9374344 2.7989115 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.950906e-11 -1.837921e-11 9.996608e-11 ] [ 6.773940000000001e-12 1.2083696e-10 2.8810824e-10 ] [ 2.2062672e-10 6.849192e-11 -2.453329e-11 ] [ 2.998196e-10 2.6140568e-10 8.665588e-11 ] [ 1.6766582e-10 2.9374344e-10 2.7989115e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.5e-06 -4e-06 -7.2e-06 ] [ 1.14e-05 1.2e-05 6.5e-06 ] [ -6e-07 -2.6e-06 -1.14e-05 ] [ 1.2e-06 -1.06e-05 1.2e-06 ] [ -1.54e-05 5.2e-06 1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.6076181728e-15 -6.4087064832e-15 -1.153567166976e-14 ] [ 1.826481347712e-14 1.92261194496e-14 1.04141480352e-14 ] [ -9.6130597248e-16 -4.16565921408e-15 -1.826481347712e-14 ] [ 1.92261194496e-15 -1.698307218048e-14 1.92261194496e-15 ] [ -2.467351996032e-14 8.33131842816e-15 1.746372516672e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }