{ "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" [ [ 1.180338 1.724614 2.454285 ] [ 2.279675 2.151595 5.035575 ] [ 1.206438 3.673046 1.250197 ] [ 2.791298 3.409437 3.168578 ] [ 3.407643 1.775427 1.527211 ] [ 3.723971 4.511514 1.482617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.180338e-10 1.724614e-10 2.454285e-10 ] [ 2.279675e-10 2.151595e-10 5.035575e-10 ] [ 1.206438e-10 3.673046e-10 1.250197e-10 ] [ 2.791298e-10 3.409437e-10 3.168578e-10 ] [ 3.407643e-10 1.775427e-10 1.527211e-10 ] [ 3.723971e-10 4.511514e-10 1.482617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.7574002 9.8412488 -8.1666456 ] [ 2.7446419 6.8219576 -9.9595366 ] [ -0.219025 -9.5281503 5.8895417 ] [ -0.7540497 -8.526829 5.2547732 ] [ -6.4977873 2.4783713 5.0379464 ] [ -1.0311801 -1.0865984 1.9439209 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.224371997029244e-09 1.576741874683606e-08 -1.308440865067919e-08 ] [ 4.397401084648091e-09 1.092998097480888e-08 -1.595693669452192e-08 ] [ -3.5091673437072e-10 -1.526577965012851e-08 9.436086018966688e-09 ] [ -1.208120800261254e-09 -1.366148607335944e-08 8.419074768646404e-09 ] [ -1.041060289899116e-08 3.970788554521703e-09 8.071679938923525e-09 ] [ -1.652132648054206e-09 -1.740922552678687e-09 3.114504618664495e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6134255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.219805234030255e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6776168 2.1146099 1.8266732 ] [ 2.2953612 2.24 4.9698266 ] [ 0.3734684 3.8415964 1.4301716 ] [ 2.9980761 3.5743281 3.3675983 ] [ 3.5379838 0.9385996 1.8043557 ] [ 3.7068567 4.5364991 1.5198377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6776168e-10 2.1146099e-10 1.8266732e-10 ] [ 2.2953612e-10 2.24e-10 4.9698266e-10 ] [ 3.734684e-11 3.8415964e-10 1.4301716e-10 ] [ 2.9980761e-10 3.5743281e-10 3.3675983e-10 ] [ 3.5379838e-10 9.385996e-11 1.8043557e-10 ] [ 3.7068567e-10 4.5364991e-10 1.5198377e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1445197 -0.0599679 -0.0314208 ] [ -0.0072206 -0.0097742 0.0188422 ] [ -0.0632359 0.0316046 0.0045795 ] [ 0.0196998 0.0208494 -0.0243526 ] [ -0.089069 0.0197572 0.0177561 ] [ -0.004694 -0.0024691 0.0145956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.315460845850297e-10 -9.607916737847232e-11 -5.034167116683264e-11 ] [ -1.156867650814848e-11 -1.565999472702336e-11 3.018853232443776e-11 ] [ -1.013150805752467e-10 5.063615122973568e-11 7.3371678349536e-12 ] [ 3.156255899443584e-11 3.340442123770752e-11 -3.901716637569408e-11 ] [ -1.427042694380352e-10 3.165452393246976e-11 2.844840829658688e-11 ] [ -7.5206170580352e-12 -3.95593429441728e-12 2.338472908654848e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.296093 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.809833611098254e-18 } }