{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8879903 -16.8408416 -5.3487714 ] [ -10.5922282 -10.0817328 11.99474 ] [ -18.0356926 5.6165168 -7.8985673 ] [ -0.9602542 12.6984782 15.7854741 ] [ 15.3390096 -4.7916681 7.267071 ] [ 8.85801 16.9837917 -5.5164852 ] [ 7.2791457 -3.5845442 -16.2834611 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.024893918957178e-09 -2.698200268611607e-08 -8.569676487083685e-09 ] [ -1.697062038421846e-08 -1.615271658931252e-08 1.921769200057459e-08 ] [ -2.889636502365557e-08 8.99865190729043e-09 -1.265489986587538e-08 ] [ -1.538496829265007e-09 2.034520489177847e-08 2.529111755126392e-08 ] [ 2.457580256734676e-08 -7.677098604453156e-09 1.164313125789368e-08 ] [ 1.419209652881261e-08 2.721103399427709e-08 -8.838383616429212e-09 ] [ 1.166247705993685e-08 -5.743072913464239e-09 -2.608898068012625e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 145.10196 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.324789679442568e-17 } "relaxed-configuration-positions" { "source-value" [ [ 2.0841718 -5.2616771 0.0110795 ] [ -1.6025889 -0.5143682 8.0030034 ] [ -2.774498 5.5991899 -0.3116588 ] [ 2.3025521 8.6554755 8.8177644 ] [ 8.7761688 1.2919334 5.2575027 ] [ 6.3611528 11.0677045 0.0024989 ] [ 6.0326324 2.4263065 -5.0192846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0841718e-10 -5.2616771e-10 1.10795e-12 ] [ -1.6025889e-10 -5.143682e-11 8.003003400000001e-10 ] [ -2.774498e-10 5.5991899e-10 -3.116588e-11 ] [ 2.3025521e-10 8.6554755e-10 8.8177644e-10 ] [ 8.776168800000001e-10 1.2919334e-10 5.2575027e-10 ] [ 6.3611528e-10 1.10677045e-09 2.4989e-13 ] [ 6.0326324e-10 2.4263065e-10 -5.0192846e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ -0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 8.8817842e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.423018699623083e-33 } }