{ "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" [ [ 0.9949033 2.503274 2.364783 ] [ 2.081862 1.922853 4.128948 ] [ 3.003732 4.725891 2.729897 ] [ 1.175643 3.973335 4.072515 ] [ 3.741462 2.310355 2.499434 ] [ 3.610675 3.096222 4.683717 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.949033000000001e-11 2.503274000000001e-10 2.364783e-10 ] [ 2.081862e-10 1.922853e-10 4.128948e-10 ] [ 3.003732e-10 4.725891e-10 2.729897e-10 ] [ 1.175643e-10 3.973335e-10 4.072515e-10 ] [ 3.741462e-10 2.310355e-10 2.499434e-10 ] [ 3.610675e-10 3.096222e-10 4.683717e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2286512 0.6361111 -5.7495315 ] [ -1.762032 -8.6310453 4.6472296 ] [ -0.9364729 -0.7806243 -1.2285737 ] [ -2.425548 5.9438171 3.2606106 ] [ -0.4474132 -0.670681 -4.9072005 ] [ 3.3428148 3.5024224 3.9774655 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.57069287797606e-09 1.019162341048037e-09 -9.21176502574697e-09 ] [ -2.823086498760288e-09 -1.382845910665552e-08 7.445682677953167e-09 ] [ -1.500394998754219e-09 -1.250698013392606e-09 -1.968392075286926e-09 ] [ -3.886156330245432e-09 9.523044874389641e-09 5.22407411589272e-09 ] [ -7.168349747831687e-10 -1.074549427067754e-09 -7.862201979453116e-09 ] [ 5.355779764349383e-09 5.611499331678201e-09 6.372602286641127e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.054944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.572285613697849e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2265629 2.7594637 2.1302765 ] [ 1.9649113 1.5715716 4.244865 ] [ 2.904513 4.6057272 2.5815443 ] [ 1.1963363 3.98532 4.3493307 ] [ 3.6731092 2.1920125 2.4771091 ] [ 3.6428447 3.417835 4.6961685 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2265629e-10 2.7594637e-10 2.1302765e-10 ] [ 1.9649113e-10 1.5715716e-10 4.244865e-10 ] [ 2.904513e-10 4.6057272e-10 2.5815443e-10 ] [ 1.1963363e-10 3.98532e-10 4.3493307e-10 ] [ 3.6731092e-10 2.1920125e-10 2.4771091e-10 ] [ 3.6428447e-10 3.417835e-10 4.6961685e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001669 3.62e-05 -0.0003152 ] [ -1.12e-05 -0.0004336 0.0002403 ] [ -5.96e-05 0.0005066 -0.0001203 ] [ -0.0003622 0.0002747 0.0001029 ] [ 0.000224 -0.0004777 -0.0002587 ] [ 0.0003758 9.38e-05 0.000351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.674032802146e-13 5.799879415079998e-14 -5.050060750368e-13 ] [ -1.79443783008e-14 -6.947037885024e-13 3.850030451502e-13 ] [ -9.54897273864e-14 8.116626827843999e-13 -1.927418490702e-13 ] [ -5.803083768347999e-13 4.401179213598e-13 1.648639756386e-13 ] [ 3.588875660159999e-13 -7.653597780617999e-13 -4.144830952158e-13 ] [ 6.020979790571999e-13 1.502841682692e-13 5.62363998534e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.869792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.503926973284012e-18 } }