{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5819961 -1.059753 -3.4126811 ] [ -0.9806739 -1.2060255 5.8941202 ] [ -3.4506199 0.9702442 -0.0224985 ] [ -1.8751177 -8.1226034 1.4189268 ] [ 4.9245318 1.8638599 -7.475215 ] [ -1.4084349 7.2359581 -0.8939322 ] [ 6.3723107 0.3183196 4.4912798 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.738990454499127e-09 -1.697911494411402e-09 -5.467717917713417e-09 ] [ -1.571212808153653e-09 -1.932265876108167e-09 9.443421662427406e-09 ] [ -5.528502576595416e-09 1.554502586514023e-09 -3.6046571000049e-11 ] [ -3.004269764939822e-09 -1.301384537472895e-08 2.273371364316391e-09 ] [ 7.88996978334996e-09 2.986232780829576e-09 -1.197661480712631e-08 ] [ -2.256561487290127e-09 1.159328299242303e-08 -1.432237283220214e-09 ] [ 1.020956730812818e-08 5.100042252642263e-10 7.195823552316192e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.06750306491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.093644807533242e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8197147 2.6617512 1.2111585 ] [ 2.7147169 2.8618767 5.3782249 ] [ 1.3211594 3.5160668 3.4616617 ] [ 3.0744497 1.5998081 3.1771252 ] [ 4.1164116 3.2404924 1.3987923 ] [ 3.233324 4.9207214 2.9835259 ] [ 4.7210558 3.3756894 4.2139285 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8197147e-10 2.6617512e-10 1.2111585e-10 ] [ 2.7147169e-10 2.8618767e-10 5.3782249e-10 ] [ 1.3211594e-10 3.5160668e-10 3.4616617e-10 ] [ 3.0744497e-10 1.5998081e-10 3.1771252e-10 ] [ 4.1164116e-10 3.2404924e-10 1.3987923e-10 ] [ 3.233324e-10 4.9207214e-10 2.9835259e-10 ] [ 4.7210558e-10 3.3756894e-10 4.2139285e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 6.8e-06 2.17e-05 ] [ 1.1e-05 1.4e-05 1.01e-05 ] [ -2.29e-05 -9e-07 -1e-06 ] [ 5.2e-06 -3.65e-05 -1.63e-05 ] [ 1.58e-05 1.38e-05 2.79e-05 ] [ 1.34e-05 7.1e-06 -1.13e-05 ] [ -2.81e-05 -4.3e-06 -3.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189150399999e-15 1.08948011112e-14 3.476723295779999e-14 ] [ 1.7623942974e-14 2.243047287599999e-14 1.61819840034e-14 ] [ -3.66898449186e-14 -1.4419589706e-15 -1.602176634e-15 ] [ 8.331318496799998e-15 -5.847944714099999e-14 -2.61154791342e-14 ] [ 2.53143908172e-14 2.21100375492e-14 4.470072808859999e-14 ] [ 2.14691668956e-14 1.13754541014e-14 -1.81045959642e-14 ] [ -4.50211634154e-14 -6.8893595262e-15 -4.982769331739999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }