{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2234571 -0.6088605 -0.5097281 ] [ 0.0137625 1.0943078 0.8282247 ] [ 0.9318362 0.617706 0.1400997 ] [ -1.2039627 0.5886949 0.1978712 ] [ 0.0737109 -1.2521074 -0.3049943 ] [ -0.4772445 -1.0587598 -0.3558207 ] [ -0.5615595 0.6190189 0.0043475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.960194362171768e-09 -9.755020584285984e-10 -8.166744447848045e-10 ] [ 2.204995574376e-11 1.753274373119082e-09 1.326962251109094e-09 ] [ 1.492966174055113e-09 9.896741117278848e-10 2.244644639210938e-10 ] [ -1.928960890255244e-09 9.43193205564194e-10 3.17024610569641e-10 ] [ 1.180978806781267e-10 -2.006097203010674e-09 -4.886547369372614e-10 ] [ -7.646299803053857e-10 -1.696320198602884e-09 -5.700876067366905e-10 ] [ -8.997175020881376e-10 9.91777609413333e-10 6.965462858928e-12 ] ] } "unrelaxed-potential-energy" { "source-value" -8.298827085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.3296186736566e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6800008 1.5106255 2.495711 ] [ 1.8565898 2.9125545 4.2439796 ] [ 2.4616206 3.8290052 2.1639011 ] [ 4.7221199 2.6748992 2.4127393 ] [ 3.972775 1.8321046 4.4769267 ] [ 4.4870136 4.984349 2.1913807 ] [ 3.8425701 4.1724091 4.2802225 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.680000800000001e-10 1.5106255e-10 2.495711e-10 ] [ 1.8565898e-10 2.9125545e-10 4.243979600000001e-10 ] [ 2.4616206e-10 3.8290052e-10 2.1639011e-10 ] [ 4.7221199e-10 2.6748992e-10 2.4127393e-10 ] [ 3.972775e-10 1.8321046e-10 4.4769267e-10 ] [ 4.4870136e-10 4.984349e-10 2.1913807e-10 ] [ 3.8425701e-10 4.172409100000001e-10 4.2802225e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.18e-05 -3.14e-05 -5.41e-05 ] [ -1.17e-05 9e-07 1.74e-05 ] [ 4.04e-05 -2.03e-05 4.31e-05 ] [ -1.67e-05 5.79e-05 -1.38e-05 ] [ 1.74e-05 8.4e-06 2.11e-05 ] [ 1.54e-05 -5.01e-05 2.29e-05 ] [ -1.3e-05 3.45e-05 -3.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.094921654144e-14 -5.030834589312e-14 -8.667775518528e-14 ] [ -1.874546646336e-14 1.44195895872e-15 2.787787320192e-14 ] [ 6.472793548032e-14 -3.252418540224e-14 6.905381235648e-14 ] [ -2.675634956736e-14 9.276602634432e-14 -2.211003736704e-14 ] [ 2.787787320192e-14 1.345828361472e-14 3.380592669888e-14 ] [ 2.467351996032e-14 -8.026904870208e-14 3.668984461632e-14 ] [ -2.08282960704e-14 5.52750934176e-14 -5.863966432128e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }