{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5168092 -14.3195648 -20.5323902 ] [ -48.2401188 10.0464695 23.7898671 ] [ -45.1587646 -41.5235706 8.7289464 ] [ -9.312416 7.9089701 5.021422 ] [ 26.6969697 -6.4068265 5.4408388 ] [ 42.442668 3.2794014 -24.7050294 ] [ 30.0548525 41.0151209 2.2563451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.634549480054351e-09 -2.294247194259063e-08 -3.289651554758303e-08 ] [ -7.728919052597456e-08 1.609621855448027e-08 3.81155688795591e-08 ] [ -7.235231686633065e-08 -6.652809402745822e-08 1.398531384629633e-08 ] [ -1.492013519836385e-08 1.267156698882624e-08 8.045204931570778e-09 ] [ 4.277326069954599e-08 -1.026486763182189e-08 8.717184722901526e-09 ] [ 6.80006503939763e-08 5.254180253298789e-09 -3.958182052085666e-08 ] [ 4.815318201709243e-08 6.571346780526545e-08 3.615063367676638e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 12.992521 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.081631339145304e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9802234 2.4929624 0.8792519 ] [ 1.4799604 5.1361385 1.7883327 ] [ 2.0265496 2.8262263 3.6988019 ] [ 4.6339725 2.9697684 0.6965026 ] [ 4.8463074 2.7258171 3.3795103 ] [ 4.1627582 5.6145251 0.9903368 ] [ 3.7717975 5.3223413 3.787628 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9802234e-10 2.4929624e-10 8.792519e-11 ] [ 1.4799604e-10 5.1361385e-10 1.7883327e-10 ] [ 2.0265496e-10 2.8262263e-10 3.6988019e-10 ] [ 4.6339725e-10 2.9697684e-10 6.965026e-11 ] [ 4.8463074e-10 2.7258171e-10 3.3795103e-10 ] [ 4.1627582e-10 5.6145251e-10 9.903368000000001e-11 ] [ 3.7717975e-10 5.3223413e-10 3.787628000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.4e-06 -0.0 2.8e-06 ] [ 4e-06 -2.4e-06 4.4e-06 ] [ 9.9e-06 7.1e-06 -5.7e-06 ] [ -2e-06 -6.6e-06 6.9e-06 ] [ 2e-07 9.7e-06 -8.7e-06 ] [ 8.8e-06 3.4e-06 -6e-07 ] [ -1.46e-05 -1.11e-05 8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.025393037312e-14 0.0 4.48609453824e-15 ] [ 6.4087064832e-15 -3.84522388992e-15 7.04957713152e-15 ] [ 1.586154854592e-14 1.137545400768e-14 -9.13240673856e-15 ] [ -3.2043532416e-15 -1.057436569728e-14 1.105501868352e-14 ] [ 3.2043532416e-16 1.554111322176e-14 -1.393893660096e-14 ] [ 1.409915426304e-14 5.44740051072e-15 -9.6130597248e-16 ] [ -2.339177866368e-14 -1.778416049088e-14 1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.651734 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148554877298047e-18 } }