{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1343009 -0.0585056 0.925574 ] [ -5.7578817 1.9657815 -0.0676958 ] [ -0.4637625 -0.3607807 -0.3283856 ] [ -2.697898 1.2224277 2.1582149 ] [ 2.6920741 -0.5495714 -0.7523068 ] [ 3.6655605 -0.7394338 0.3064331 ] [ 0.4276066 -1.4799177 -2.2418339 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.419527003732399e-09 -9.373630450587649e-11 1.482933023620339e-09 ] [ -9.225143445072161e-09 3.149529160901156e-09 -1.084606280863526e-10 ] [ -7.430294351037601e-10 -5.780344027758586e-10 -5.261317309273805e-10 ] [ -4.322509100903078e-09 1.958545081558316e-09 3.45784145544221e-09 ] [ 4.313178184481202e-09 -8.805104485403252e-10 -1.205328366628861e-09 ] [ 5.872875335227959e-09 -1.184703546989303e-09 4.909599486592686e-10 ] [ 6.851012974197773e-10 -2.371089539648108e-09 -3.591813862296885e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.994185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.485162872535005e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2657751 2.7891781 1.1538002 ] [ 1.8017489 4.9052021 1.9579518 ] [ 2.2288911 3.1054031 3.4425066 ] [ 4.5322346 3.0377172 0.8030045 ] [ 4.5113514 2.9692503 3.1087667 ] [ 3.9741883 5.2326402 1.2418287 ] [ 3.5873796 5.048388 3.5125056 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2657751e-10 2.7891781e-10 1.1538002e-10 ] [ 1.8017489e-10 4.905202100000001e-10 1.9579518e-10 ] [ 2.2288911e-10 3.1054031e-10 3.4425066e-10 ] [ 4.5322346e-10 3.0377172e-10 8.030045e-11 ] [ 4.5113514e-10 2.9692503e-10 3.1087667e-10 ] [ 3.9741883e-10 5.2326402e-10 1.2418287e-10 ] [ 3.5873796e-10 5.048388e-10 3.5125056e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.37e-05 -2.6e-06 8.8e-06 ] [ 6.96e-05 -5.63e-05 2.57e-05 ] [ 1.61e-05 -5.8e-06 -5.24e-05 ] [ 5.33e-05 -3.57e-05 -8.42e-05 ] [ -4.4e-05 1.57e-05 0.0001226 ] [ -4.41e-05 8.15e-05 3.61e-05 ] [ 3.28e-05 3.2e-06 -5.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3410218316096e-13 -4.16565921408e-15 1.409915426304e-14 ] [ 1.1151149280768e-13 -9.020254375104e-14 4.117593915456e-14 ] [ 2.579504359488e-14 -9.292624400640001e-15 -8.395405492992e-14 ] [ 8.539601388864e-14 -5.719770536256001e-14 -1.3490327147136e-13 ] [ -7.04957713152e-14 2.515417294656e-14 1.9642685371008e-13 ] [ -7.065598897728e-14 1.305773945952e-13 5.783857601088001e-14 ] [ 5.255139316223999e-14 5.126965186560001e-15 -9.036276141312001e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.40672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.871693589921178e-18 } }