{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.43385 0 0 ] "si-unit" "m" "si-value" [ 5.43385e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0231251 5.41563 0 ] "si-unit" "m" "si-value" [ 2.31251e-12 5.415630000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0358168 0.0829392 5.41654 ] "si-unit" "m" "si-value" [ -3.581680000000001e-12 8.29392e-12 5.41654e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.133361 0.0745448 0.100028 ] [ 1.34132 1.25343 1.22744 ] [ -0.0690566 2.71113 2.67907 ] [ 1.35774 4.10829 3.9369 ] [ 2.76453 -0.015077 2.69424 ] [ 4.18319 1.35081 4.12938 ] [ 2.74151 2.8117 -0.150387 ] [ 4.06649 4.0541 1.2862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.33361e-11 7.45448e-12 1.00028e-11 ] [ 1.34132e-10 1.25343e-10 1.22744e-10 ] [ -6.90566e-12 2.71113e-10 2.67907e-10 ] [ 1.35774e-10 4.108290000000001e-10 3.9369e-10 ] [ 2.76453e-10 -1.5077e-12 2.69424e-10 ] [ 4.18319e-10 1.35081e-10 4.129380000000001e-10 ] [ 2.74151e-10 2.8117e-10 -1.50387e-11 ] [ 4.06649e-10 4.0541e-10 1.2862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7797881 -2.2617041 -0.6085891 ] [ 1.1237813 1.872381 1.2608608 ] [ 0.9423994 -0.3742865 -0.5282535 ] [ -1.3133948 0.6576453 0.5374033 ] [ -0.0037417 0.7908287 -0.2780563 ] [ -2.2645869 1.4628676 -1.7913007 ] [ 0.0778188 -1.7820948 0.8140572 ] [ -0.3420642 -0.3656371 0.5938784 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851534883798053e-09 -3.623649432187505e-09 -9.750672276937132e-10 ] [ 1.800496125752231e-09 2.999885063430125e-09 2.020121695843185e-09 ] [ 1.509890286135947e-09 -5.996730797810593e-10 -8.463554075557728e-10 ] [ -2.104290442440292e-09 1.053663924439002e-09 8.610150032007687e-10 ] [ -5.99486426204736e-12 1.267047254197657e-09 -4.45495303126151e-10 ] [ -3.628268186949948e-09 2.343772268045806e-09 -2.869980102362675e-09 ] [ 1.24679462018711e-10 -2.855230624609252e-09 1.30426341383391e-09 ] [ -5.480472640526553e-10 -5.858152133171116e-10 9.514980880781108e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.989645240654234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.722041240026221e-18 } }