{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1178727 -4.5242837 6.3353904 ] [ 0.0216329 5.0193302 -6.2231744 ] [ 0.1368314 1.3458607 -0.5074378 ] [ 0.068795 -1.3238053 0.0571068 ] [ -0.3975336 3.476749 5.0719619 ] [ -3.9475984 -3.9938508 -4.7338469 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.597559367370573e-09 -7.24870157000652e-09 1.015041438252076e-08 ] [ 3.465972662010432e-11 8.041853498515388e-09 -9.970624530841068e-09 ] [ 2.192280700713331e-10 2.156306548393523e-09 -8.130049796701863e-10 ] [ 1.10221740627936e-10 -2.12096990215113e-09 9.149517984870144e-11 ] [ -6.369190399024588e-10 5.570365964189778e-09 8.126178777768347e-09 ] [ -6.324749864787487e-09 -6.398854378723378e-09 -7.584458829626555e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0979378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.137214999905259e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8936314 2.661861 1.4440038 ] [ 2.0115925 2.3930618 5.2438873 ] [ 0.6276217 3.4600018 -0.1673127 ] [ 0.8224687 2.9439316 7.0034631 ] [ 3.0598667 2.4847624 3.3077455 ] [ 5.264742 2.5151964 3.2336246 ] [ 7.3551449 3.190621 3.1617094 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8936314e-10 2.661861e-10 1.4440038e-10 ] [ 2.0115925e-10 2.3930618e-10 5.2438873e-10 ] [ 6.276217e-11 3.4600018e-10 -1.673127e-11 ] [ 8.224687e-11 2.9439316e-10 7.003463100000001e-10 ] [ 3.059866700000001e-10 2.4847624e-10 3.3077455e-10 ] [ 5.264742e-10 2.5151964e-10 3.2336246e-10 ] [ 7.3551449e-10 3.190621e-10 3.1617094e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0109695 -0.0191472 0.0097608 ] [ -0.0694063 -0.0438641 0.1553311 ] [ -0.0485553 0.0175026 -0.0707097 ] [ -0.0799355 0.0231523 0.1275372 ] [ 0.2107294 0.0310245 -0.2254364 ] [ -0.1233538 -0.0258597 0.0069038 ] [ 0.0995519 0.0171916 -0.0033868 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.75750764418656e-11 -3.067719619378176e-11 1.563852556030464e-11 ] [ -1.11201151196231e-10 -7.027803551243328e-11 2.488678569031469e-10 ] [ -7.779416647593025e-11 2.804225652321408e-11 -1.132894282037818e-10 ] [ -1.280707892719584e-10 3.709407377774784e-11 2.043371201222937e-10 ] [ 3.376257179952115e-10 4.97067285720096e-11 -3.611889295573171e-10 ] [ -1.97634574446839e-10 -4.143180676090177e-11 1.106110695467904e-11 ] [ 1.594997267362195e-10 2.754397959414528e-11 -5.42625177932544e-12 ] ] } "relaxed-potential-energy" { "source-value" -15.796723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.530914027585364e-18 } }