{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.1515241 -5.9098614 0.5988224 ] [ 1.3355999 -15.7413878 -4.8762863 ] [ 2.8628173 -0.3036511 4.9839577 ] [ -1.0563264 -0.9900622 -0.3047472 ] [ 13.6236858 5.4872945 2.4709893 ] [ -6.1809226 5.4386747 -14.9453849 ] [ -0.43333 12.0189933 12.072649 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.626453457850776e-08 -9.468641767248356e-09 9.594192492913458e-10 ] [ 2.139866934522818e-09 -2.522048351210634e-08 -7.812671906187336e-09 ] [ 4.58673894768178e-09 -4.865026933002029e-10 7.985180505996141e-09 ] [ -1.692421462013829e-09 -1.586254509977814e-09 -4.882588390942618e-10 ] [ 2.182755087788495e-08 8.791614959344425e-09 3.958961286706957e-09 ] [ -9.902929684694351e-09 8.713717452476453e-09 -2.394514627563735e-08 ] [ -6.94271195091264e-10 1.925655007081184e-08 1.93425159789245e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6875927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.071470467337275e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1735214 2.8985667 2.8305184 ] [ 4.8156572 1.7562448 1.2795033 ] [ 5.4582363 1.8787459 4.8088544 ] [ 3.6418074 0.9741224 3.2983535 ] [ 5.7517807 3.4279226 2.831082 ] [ 2.7090252 2.8126354 0.3599814 ] [ 3.7219078 4.7900647 3.321075 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1735214e-10 2.8985667e-10 2.8305184e-10 ] [ 4.815657200000001e-10 1.7562448e-10 1.2795033e-10 ] [ 5.4582363e-10 1.8787459e-10 4.8088544e-10 ] [ 3.6418074e-10 9.741224e-11 3.2983535e-10 ] [ 5.751780700000001e-10 3.4279226e-10 2.831082e-10 ] [ 2.7090252e-10 2.8126354e-10 3.599814e-11 ] [ 3.7219078e-10 4.790064700000001e-10 3.321075e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.9e-06 9.2e-06 -2.9e-06 ] [ 1.19e-05 -1.9e-06 -9.7e-06 ] [ 1.5e-05 -9e-06 4.3e-06 ] [ 5.6e-06 2.7e-06 2.4e-06 ] [ -1.72e-05 -1.65e-05 7.1e-06 ] [ -2e-07 4e-07 5.5e-06 ] [ -9.2e-06 1.51e-05 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.45284206272e-15 1.474002491136e-14 -4.646312200320001e-15 ] [ 1.906590178752e-14 -3.04413557952e-15 -1.554111322176e-14 ] [ 2.4032649312e-14 -1.44195895872e-14 6.889359469440001e-15 ] [ 8.972189076479999e-15 4.32587687616e-15 3.84522388992e-15 ] [ -2.755743787776e-14 -2.64359142432e-14 1.137545400768e-14 ] [ -3.2043532416e-16 6.408706483200001e-16 8.8119714144e-15 ] [ -1.474002491136e-14 2.419286697408e-14 -1.073458335936e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.813779 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334735010429801e-18 } }