{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.0481056 -4.1332967 -13.7525686 ] [ -23.4744439 -9.2163945 17.5641127 ] [ -6.5182677 18.5619443 -4.9056394 ] [ 3.4997159 -17.3208263 -9.3709506 ] [ 23.1672714 9.8168004 -16.412731 ] [ 11.227101 -10.0616141 9.5041242 ] [ 5.1467288 12.353387 17.3736527 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.090536973804956e-08 -6.622271339569792e-09 -2.203404388686819e-08 ] [ -3.761020520286117e-08 -1.47662917959697e-08 2.814081073303636e-08 ] [ -1.044341611705579e-08 2.973951319405182e-08 -7.85970075675534e-09 ] [ 5.607162994422031e-09 -2.775102295079777e-08 -1.501391796599173e-08 ] [ 3.711806060480848e-08 1.572824809194009e-08 -2.629609389167941e-08 ] [ 1.79877987415603e-08 -1.612048287853163e-08 1.52272855944195e-08 ] [ 8.245968556958039e-09 1.979230783909465e-08 2.78356601738388e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.4199689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.509245394024309e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.644237 1.8524507 1.9617124 ] [ 1.2953592 2.3132065 4.255097 ] [ 2.8105266 3.7412938 1.1458364 ] [ 3.3767422 0.247452 2.0687981 ] [ 4.9662645 3.5416121 2.1046323 ] [ 4.841859 1.5562678 3.3839052 ] [ 3.4510965 2.1135334 5.2138906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.644237e-10 1.8524507e-10 1.9617124e-10 ] [ 1.2953592e-10 2.3132065e-10 4.255097e-10 ] [ 2.8105266e-10 3.7412938e-10 1.1458364e-10 ] [ 3.3767422e-10 2.47452e-11 2.0687981e-10 ] [ 4.966264500000001e-10 3.5416121e-10 2.1046323e-10 ] [ 4.841859000000001e-10 1.5562678e-10 3.3839052e-10 ] [ 3.4510965e-10 2.1135334e-10 5.2138906e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.21e-05 2.02e-05 9.6e-06 ] [ -1.73e-05 -9.7e-06 -2.51e-05 ] [ 6e-06 -4.5e-06 -7.2e-06 ] [ 1.33e-05 -1.63e-05 7.2e-06 ] [ 2.15e-05 2.62e-05 -1.82e-05 ] [ 4e-06 -5.3e-06 -2e-07 ] [ 1.46e-05 -1.06e-05 3.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.745163573568001e-14 3.236396774016e-14 1.538089555968e-14 ] [ -2.771765553984e-14 -1.554111322176e-14 -4.021463318208e-14 ] [ 9.6130597248e-15 -7.2097947936e-15 -1.153567166976e-14 ] [ 2.130894905664e-14 -2.611547891904e-14 1.153567166976e-14 ] [ 3.44467973472e-14 4.197702746496e-14 -2.915961449856e-14 ] [ 6.4087064832e-15 -8.491536090240001e-15 -3.2043532416e-16 ] [ 2.339177866368e-14 -1.698307218048e-14 5.431378744512e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }