{ "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" [ [ 2.666012 2.519902 1.694639 ] [ 2.496155 4.523544 1.233674 ] [ 4.888558 1.942791 1.748689 ] [ 3.394286 2.23286 3.870587 ] [ 4.049493 3.873676 2.828862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.666012e-10 2.519902e-10 1.694639e-10 ] [ 2.496155e-10 4.523544000000001e-10 1.233674e-10 ] [ 4.888558e-10 1.942791e-10 1.748689e-10 ] [ 3.394286e-10 2.23286e-10 3.870587e-10 ] [ 4.049493e-10 3.873676e-10 2.828862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.102562 -6.26026 -1.2340779 ] [ -0.7825038 4.9459894 -1.4039256 ] [ 0.2914133 -0.2831877 0.3619856 ] [ -1.1527734 -4.4659605 3.1661117 ] [ 3.7464259 6.0634187 -0.8900939 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.368675680182489e-09 -1.003004221212941e-08 -1.97721075962596e-09 ] [ -1.253709294047159e-09 7.92434858340462e-09 -2.249336773662613e-09 ] [ 4.668955762501766e-10 -4.537167122381241e-10 5.799648653862606e-10 ] [ -1.846946590560127e-09 -7.15525750251628e-09 5.072670144581343e-09 ] [ 6.002435988539599e-09 9.714667683261528e-09 -1.426087636896693e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.3398643992349477 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.351052657096471e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5683172 2.3619511 1.6152763 ] [ 2.4347856 4.6720622 1.2738309 ] [ 4.866822 1.9062525 1.9810886 ] [ 3.4422694 2.0932725 3.8035672 ] [ 4.1823098 4.0592347 2.7026881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5683172e-10 2.3619511e-10 1.6152763e-10 ] [ 2.4347856e-10 4.6720622e-10 1.2738309e-10 ] [ 4.866822e-10 1.9062525e-10 1.9810886e-10 ] [ 3.4422694e-10 2.0932725e-10 3.8035672e-10 ] [ 4.1823098e-10 4.0592347e-10 2.7026881e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.6e-06 -4.7e-06 3e-07 ] [ -3e-06 5.3e-06 -1e-07 ] [ -1e-05 -2.3e-06 3.3e-06 ] [ 5.1e-06 4.6e-06 -6.1e-06 ] [ -1.8e-06 -2.9e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.538089555968e-14 -7.53023011776e-15 4.8065298624e-16 ] [ -4.8065298624e-15 8.491536090240001e-15 -1.6021766208e-16 ] [ -1.6021766208e-14 -3.68500622784e-15 5.28718284864e-15 ] [ 8.17110076608e-15 7.370012455680001e-15 -9.77327738688e-15 ] [ -2.88391791744e-15 -4.646312200320001e-15 4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.057896399234949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.103643361282738e-19 } }