{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.6286578 -34.1523957 -13.8534498 ] [ -9.6224537 -12.463183 6.5808111 ] [ -4.664578 35.6084665 -0.1523303 ] [ -9.2230596 0.4554865 22.8091749 ] [ 42.151581 -10.6111628 0.1387067 ] [ 17.9871682 21.1627885 -15.5229126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.868557917844356e-08 -5.471816993485046e-08 -2.219567338698644e-08 ] [ -1.541687035287045e-08 -1.996822042335201e-08 1.054362169032113e-08 ] [ -7.473477817498022e-09 5.705105252884001e-08 -2.440600452994503e-10 ] [ -1.4776970463365e-08 7.297698213900193e-10 3.654432676451818e-08 ] [ 6.753427760795749e-08 -1.700095695766267e-08 2.222326318883194e-10 ] [ 2.881862036443722e-08 3.39065249656351e-08 -2.487044765444174e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.949184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.516646945043743e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9529028 -0.4556291 0.3360018 ] [ -0.0894728 0.0130697 2.3912691 ] [ 1.0853887 3.5286981 1.3874312 ] [ 0.6669401 2.0882535 3.1986072 ] [ 3.1235162 0.4492298 0.3335981 ] [ 2.9948119 2.7949638 0.2272148 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.529028000000001e-11 -4.556291e-11 3.360018000000001e-11 ] [ -8.94728e-12 1.30697e-12 2.3912691e-10 ] [ 1.0853887e-10 3.5286981e-10 1.3874312e-10 ] [ 6.669401e-11 2.0882535e-10 3.1986072e-10 ] [ 3.1235162e-10 4.492298e-11 3.335981e-11 ] [ 2.9948119e-10 2.7949638e-10 2.272148e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.72e-05 -2.3e-06 2.9e-06 ] [ -2.28e-05 -2.37e-05 -8.5e-06 ] [ 2.41e-05 -4.6e-06 -4.29e-05 ] [ 6.6e-06 5.3e-06 4.41e-05 ] [ 2.47e-05 3.2e-06 -3.3e-06 ] [ -1.54e-05 2.21e-05 7.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.755743787776e-14 -3.68500622784e-15 4.646312200320001e-15 ] [ -3.652962695424e-14 -3.797158591296e-14 -1.36185012768e-14 ] [ 3.861245656128e-14 -7.370012455680001e-15 -6.873337703232e-14 ] [ 1.057436569728e-14 8.491536090240001e-15 7.065598897728e-14 ] [ 3.957376253376001e-14 5.126965186560001e-15 -5.28718284864e-15 ] [ -2.467351996032e-14 3.540810331968e-14 1.233675998016e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.0092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.084303609531136e-18 } }