{ "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" [ [ -2.2407432 -1.6735649 -3.7764842 ] [ 0.5628282 -0.0619118 -1.5528758 ] [ -3.1379865 -0.6953766 1.7050125 ] [ -0.0118449 0.1350027 -0.1772275 ] [ 4.7565591 -1.896641 2.1239576 ] [ 0.7264132 2.4914421 -0.0283447 ] [ -0.655226 1.7010495 1.7059622 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.590066368256578e-09 -2.68134655617149e-09 -6.050594694060591e-09 ] [ 9.017501835669466e-10 -9.919363851164544e-11 -2.487981301766097e-09 ] [ -5.02760860668602e-09 -1.114116131171393e-09 2.73173116567176e-09 ] [ -1.897762185571392e-11 2.162981696848762e-10 -2.83949757062832e-10 ] [ 7.62084778547349e-09 -3.038753868250733e-09 3.402955210290478e-09 ] [ 1.163842246080515e-09 3.991730284696855e-09 -4.541321566358976e-11 ] [ -1.049787778540301e-09 2.72538173972353e-09 2.733252752808534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.397031085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.185135026863504e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.538166 1.7219039 1.4374533 ] [ 1.925515 2.5771839 4.9934627 ] [ 1.4158147 1.0839281 3.3311681 ] [ 1.4736744 3.44378 2.7735505 ] [ 3.7198749 1.8084238 3.5538734 ] [ 3.7415298 3.6094358 1.9293759 ] [ 3.3628503 4.1380554 4.1271041 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.538166e-10 1.7219039e-10 1.4374533e-10 ] [ 1.925515e-10 2.5771839e-10 4.993462700000001e-10 ] [ 1.4158147e-10 1.0839281e-10 3.3311681e-10 ] [ 1.4736744e-10 3.44378e-10 2.7735505e-10 ] [ 3.7198749e-10 1.8084238e-10 3.5538734e-10 ] [ 3.7415298e-10 3.6094358e-10 1.9293759e-10 ] [ 3.3628503e-10 4.1380554e-10 4.1271041e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 2e-05 -8.6e-06 ] [ -1.24e-05 -5.9e-06 4.53e-05 ] [ 1.04e-05 1.28e-05 -1.81e-05 ] [ 2.47e-05 -2.22e-05 -6.04e-05 ] [ 1.8e-06 1.36e-05 5.39e-05 ] [ -6.54e-05 1.46e-05 1.3e-06 ] [ 4.86e-05 -3.3e-05 -1.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 3.2043532416e-14 -1.377871893888e-14 ] [ -1.986699009792e-14 -9.45284206272e-15 7.257860092224001e-14 ] [ 1.666263685632e-14 2.050786074624e-14 -2.899939683648e-14 ] [ 3.957376253376001e-14 -3.556832098176e-14 -9.677146789632e-14 ] [ 2.88391791744e-15 2.178960204288e-14 8.635731986112e-14 ] [ -1.0478235100032e-13 2.339177866368e-14 2.08282960704e-15 ] [ 7.786578377088e-14 -5.28718284864e-14 -2.146916671872e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }