{ "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" [ [ 2.924097 1.394529 2.047948 ] [ 0.8517503 3.0229 2.150903 ] [ 3.084941 2.892354 0.5199401 ] [ 2.119748 2.11188 4.047438 ] [ 4.365389 1.647318 4.564937 ] [ 3.247696 3.944508 2.731386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.924097e-10 1.394529e-10 2.047948e-10 ] [ 8.517503e-11 3.0229e-10 2.150903e-10 ] [ 3.084941000000001e-10 2.892354e-10 5.199401e-11 ] [ 2.119748e-10 2.11188e-10 4.047438e-10 ] [ 4.365389e-10 1.647318e-10 4.564937e-10 ] [ 3.247696e-10 3.944508e-10 2.731386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2810342 -3.7295318 1.1041746 ] [ 2.5822143 -0.0749348 -1.6799242 ] [ -1.6700142 3.384938 -1.5894579 ] [ -0.333422 0.8306425 2.4308213 ] [ -0.2404495 -0.0666439 -0.0555444 ] [ -0.6193629 -0.3444699 -0.2100695 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.502664248852314e-10 -5.975368656490142e-09 1.769082729401192e-09 ] [ 4.137163381355438e-09 -1.200587846443239e-10 -2.691535277956144e-09 ] [ -2.675657707644015e-09 5.42326852645751e-09 -2.546592287125864e-09 ] [ -5.342009332603777e-10 1.330835993742864e-09 3.894605056202663e-09 ] [ -3.852425673830496e-10 -1.067752984989331e-10 -8.899193909636351e-11 ] [ -9.923287581708885e-10 -5.519016203493139e-10 -3.365684416431456e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.226189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.279286741888213e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5644041 1.6653244 2.2247716 ] [ 1.1303139 2.5234765 2.1411006 ] [ 2.7208568 3.1012771 0.3503917 ] [ 2.2856615 2.6803874 4.3320279 ] [ 3.7997171 0.8574249 4.4829772 ] [ 3.0926678 4.1855988 2.5312832 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5644041e-10 1.6653244e-10 2.2247716e-10 ] [ 1.1303139e-10 2.5234765e-10 2.1411006e-10 ] [ 2.7208568e-10 3.1012771e-10 3.503917e-11 ] [ 2.2856615e-10 2.6803874e-10 4.3320279e-10 ] [ 3.7997171e-10 8.574249000000001e-11 4.4829772e-10 ] [ 3.0926678e-10 4.1855988e-10 2.5312832e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 9.9e-06 4.43e-05 ] [ -2.2e-06 -7e-06 -2e-06 ] [ -2.53e-05 -8e-06 2.4e-06 ] [ -1.39e-05 1.8e-05 -5.3e-05 ] [ 1.35e-05 -1.56e-05 -1.51e-05 ] [ 2.34e-05 2.7e-06 2.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.04957713152e-15 1.586154854592e-14 7.097642430144e-14 ] [ -3.52478856576e-15 -1.12152363456e-14 -3.2043532416e-15 ] [ -4.053506850624e-14 -1.28174129664e-14 3.84522388992e-15 ] [ -2.227025502912e-14 2.88391791744e-14 -8.49153609024e-14 ] [ 2.16293843808e-14 -2.499395528448e-14 -2.419286697408e-14 ] [ 3.749093292672001e-14 4.32587687616e-15 3.749093292672001e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.606755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.660695460835351e-18 } }