{ "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" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.559773 -4.8374973 3.0282489 ] [ 0.1261696 0.2424447 -0.2342593 ] [ -0.9082381 2.9075063 0.0971513 ] [ -0.3523523 0.7450432 -0.6845688 ] [ -0.041521 -0.0061314 -0.9699683 ] [ 1.234504 -0.1485926 -2.6662467 ] [ 0.5012109 1.0972272 1.4296429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.968552209440819e-10 -7.750525141098087e-09 4.851789629516202e-09 ] [ 2.021459850411264e-10 3.884392333771398e-10 -3.753247767571962e-10 ] [ -1.455157861928555e-09 4.658338657067794e-09 1.556535428227242e-10 ] [ -5.645306219961581e-10 1.193690806360589e-09 -1.096800135725419e-09 ] [ -6.652397602031399e-11 -9.8235858137076e-12 -1.554060545980702e-09 ] [ 1.977893463379536e-09 -2.380715917053084e-10 -4.271798163219607e-09 ] [ 8.030283926861106e-10 1.757951782029245e-09 2.290540449343998e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.442962005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.634452951938733e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2247884 2.151811 4.3157249 ] [ 2.358237 3.3685068 1.4743174 ] [ 2.3793477 5.0160917 3.2286196 ] [ 1.187726 2.9498434 3.5433472 ] [ 3.5632593 1.3894374 2.1507129 ] [ 4.7336059 3.469664 1.8484445 ] [ 4.393129 4.1684357 4.0490735 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2247884e-10 2.151811e-10 4.3157249e-10 ] [ 2.358237e-10 3.3685068e-10 1.4743174e-10 ] [ 2.3793477e-10 5.0160917e-10 3.2286196e-10 ] [ 1.187726e-10 2.9498434e-10 3.5433472e-10 ] [ 3.5632593e-10 1.3894374e-10 2.1507129e-10 ] [ 4.733605899999999e-10 3.469664e-10 1.8484445e-10 ] [ 4.393129e-10 4.1684357e-10 4.0490735e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.38e-05 -2.47e-05 -2.53e-05 ] [ 0.0001057 1.07e-05 2.73e-05 ] [ -2.46e-05 4.17e-05 1.21e-05 ] [ -5.1e-06 -2.68e-05 2.22e-05 ] [ -2.05e-05 6.7e-05 1.81e-05 ] [ -3.18e-05 -6.34e-05 6.4e-06 ] [ -4.76e-05 -4.5e-06 -6.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.81318038892e-14 -3.95737628598e-14 -4.053506884019999e-14 ] [ 1.693500702138e-13 1.71432899838e-14 4.37394221082e-14 ] [ -3.94135451964e-14 6.681076563779999e-14 1.93863372714e-14 ] [ -8.1711008334e-15 -4.293833379119999e-14 3.55683212748e-14 ] [ -3.2844620997e-14 1.07345834478e-13 2.899939707539999e-14 ] [ -5.09492169612e-14 -1.015779985956e-13 1.02539304576e-14 ] [ -7.62636077784e-14 -7.209794853e-15 -9.741233934719999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }