{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1737082 -13.7703031 -28.1254459 ] [ -4.9432879 0.5475471 13.6943024 ] [ -20.4031008 -26.5511639 1.4023917 ] [ -25.5486781 16.1576652 -2.6690749 ] [ 23.0384196 -19.0556042 15.0323969 ] [ 12.6863985 16.9688339 -17.646924 ] [ 16.3439569 25.7030251 18.3123538 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.880487837681251e-09 -2.206245768814977e-08 -4.506193187055522e-08 ] [ -7.920020303263528e-09 8.772671624068396e-10 2.194069114344533e-08 ] [ -3.268937109358578e-08 -4.253965405560895e-08 2.246879194943967e-09 ] [ -4.093349474416496e-08 2.588743343015376e-08 -4.276329403944098e-09 ] [ 3.691161726330049e-08 -3.053044354445829e-08 2.40845548677664e-08 ] [ 2.032585107885219e-08 2.718706895681848e-08 -2.827348906183442e-08 ] [ 2.618590563654284e-08 4.118078589905558e-08 2.933962513017804e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 18.342062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.938722291366409e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6767738 2.2419165 0.8439514 ] [ 1.6805879 4.1304388 4.723471 ] [ 1.8706469 1.0076017 2.6933402 ] [ 0.3237106 2.4543126 3.7457944 ] [ 3.7088124 1.1364208 4.1744382 ] [ 4.0335887 3.9181351 1.8215654 ] [ 3.8833046 3.4938855 4.1434275 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6767738e-10 2.2419165e-10 8.439514e-11 ] [ 1.6805879e-10 4.1304388e-10 4.723471e-10 ] [ 1.8706469e-10 1.0076017e-10 2.6933402e-10 ] [ 3.237106e-11 2.4543126e-10 3.7457944e-10 ] [ 3.7088124e-10 1.1364208e-10 4.1744382e-10 ] [ 4.0335887e-10 3.9181351e-10 1.8215654e-10 ] [ 3.8833046e-10 3.4938855e-10 4.1434275e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.9e-06 3.86e-05 3.22e-05 ] [ -1.4e-06 2.68e-05 -3.35e-05 ] [ 2.7e-06 1.67e-05 3.25e-05 ] [ 1.95e-05 -5.21e-05 5.1e-06 ] [ -3.62e-05 -5.24e-05 -3.66e-05 ] [ 6.1e-06 -1.76e-05 -3.47e-05 ] [ 3.3e-06 3.99e-05 3.51e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.45284206272e-15 6.184401756288e-14 5.159008718975999e-14 ] [ -2.24304726912e-15 4.293833343744e-14 -5.36729167968e-14 ] [ 4.32587687616e-15 2.675634956736e-14 5.207074017599999e-14 ] [ 3.12424441056e-14 -8.347340194367999e-14 8.17110076608e-15 ] [ -5.799879367296e-14 -8.395405492992e-14 -5.863966432128e-14 ] [ 9.77327738688e-15 -2.819830852608e-14 -5.559552874176001e-14 ] [ 5.28718284864e-15 6.392684716992e-14 5.623639939008e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }