{ "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" [ [ 3.2247882 2.1518113 4.315725 ] [ 2.3582367 3.3685066 1.4743171 ] [ 2.3793483 5.0160917 3.2286194 ] [ 1.1877257 2.9498439 3.5433472 ] [ 3.5632588 1.3894371 2.1507129 ] [ 4.7336059 3.4696635 1.8484446 ] [ 4.3931297 4.1684358 4.0490739 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2247882e-10 2.1518113e-10 4.315725e-10 ] [ 2.3582367e-10 3.3685066e-10 1.4743171e-10 ] [ 2.3793483e-10 5.0160917e-10 3.2286194e-10 ] [ 1.1877257e-10 2.9498439e-10 3.5433472e-10 ] [ 3.5632588e-10 1.3894371e-10 2.1507129e-10 ] [ 4.733605899999999e-10 3.4696635e-10 1.8484446e-10 ] [ 4.393129700000001e-10 4.1684358e-10 4.0490739e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.39e-05 -2.49e-05 -2.63e-05 ] [ 0.0001065 1.03e-05 2.8e-05 ] [ -2.46e-05 4.17e-05 1.22e-05 ] [ -4.5e-06 -2.69e-05 2.19e-05 ] [ -2.09e-05 6.8e-05 1.87e-05 ] [ -3.26e-05 -6.39e-05 7e-06 ] [ -4.79e-05 -4.4e-06 -6.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.82920215526e-14 -3.989419818659999e-14 -4.21372454742e-14 ] [ 1.70631811521e-13 1.65024193302e-14 4.486094575199999e-14 ] [ -3.94135451964e-14 6.681076563779999e-14 1.95465549348e-14 ] [ -7.209794853e-15 -4.309855145459999e-14 3.50876682846e-14 ] [ -3.34854916506e-14 1.08948011112e-13 2.99607030558e-14 ] [ -5.22309582684e-14 -1.023790869126e-13 1.1215236438e-14 ] [ -7.674426076859999e-14 -7.0495771896e-15 -9.8533862991e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }