{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2199527 -7.1206224 0.195997 ] [ -7.9313135 8.0234021 -2.0683013 ] [ -3.5730026 -3.9321395 -8.8309531 ] [ 7.3386129 -7.2934489 -5.6775341 ] [ 2.294676 -5.8093673 4.0893037 ] [ 7.6856862 6.031487 -1.9678605 ] [ 1.4052937 10.1006891 14.2593483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.156763941922184e-08 -1.140849473482479e-08 3.140218111469376e-10 ] [ -1.270736506193542e-08 1.285490726389762e-08 -3.313783987630247e-09 ] [ -5.724581231777614e-09 -6.299981976624201e-09 -1.414874659620129e-08 ] [ 1.175775401748129e-08 -1.168539331257948e-08 -9.09641239881477e-09 ] [ 3.676476239510861e-09 -9.307632469700018e-09 6.551786783490938e-09 ] [ 1.231382674444519e-08 9.663507460059129e-09 -3.152860086095799e-09 ] [ 2.251528711497529e-09 1.618308792998939e-08 2.284599447410423e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.4177644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.68021545868254e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0772565 1.4932195 4.1140384 ] [ 1.9573951 4.9342823 2.9008325 ] [ 2.385659 3.4176717 1.4612269 ] [ 5.3914683 2.3232857 2.4131713 ] [ 3.8229443 1.3670795 4.8439173 ] [ 5.2373616 4.2907786 2.4466865 ] [ 3.1488923 4.5987737 4.6287912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0772565e-10 1.4932195e-10 4.1140384e-10 ] [ 1.9573951e-10 4.9342823e-10 2.9008325e-10 ] [ 2.385659e-10 3.4176717e-10 1.4612269e-10 ] [ 5.3914683e-10 2.3232857e-10 2.4131713e-10 ] [ 3.8229443e-10 1.3670795e-10 4.843917300000001e-10 ] [ 5.2373616e-10 4.290778600000001e-10 2.4466865e-10 ] [ 3.1488923e-10 4.5987737e-10 4.6287912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.8488312 -1.1569862 0.0793407 ] [ -0.0257096 1.3885048 -0.766713 ] [ -1.1118003 0.4798113 2.0356908 ] [ 0.7998063 1.2718508 -0.1631371 ] [ 1.1310139 -0.5810089 -0.0493198 ] [ 1.5009568 -1.7604114 0.1548252 ] [ -1.4454359 0.3582396 -1.2906867 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.359977503645609e-09 -1.853696240228233e-09 1.271178146179066e-10 ] [ -4.119132005011968e-11 2.22462992842858e-09 -1.22840964346343e-09 ] [ -1.781300447658426e-09 7.687424472556551e-10 3.261536206937648e-09 ] [ 1.281430955028551e-09 2.037729616905777e-09 -2.613744476051117e-10 ] [ 1.812084028379829e-09 -9.308788760567252e-10 -7.901903050253184e-11 ] [ 2.404797893790782e-09 -2.820489988069797e-09 2.480573157506841e-10 ] [ -2.315843605845007e-09 5.739631117647438e-10 -2.067908055517503e-09 ] ] } "relaxed-potential-energy" { "source-value" -25.159557 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.031005401508499e-18 } }